![C13H13NO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4h) -Trione, 4-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy-](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4h) -Trione, 4- Mga Hydroxy- 4,8-hydroxy-](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4h) -Trione, 4-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy- 4,8-hydroxy-
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 263.25 | - |
| Pagtunaw sa punto (eksperimento) | 177.1-178.3 ° C | - |
| Boiling Point (Gitagna) | 666.6 ± 55.0 ° C | Press: 760 Torr |
| Densidad (gitagna) | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 11.20 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Spyes O = C1C2 = C (C = C3C (= o) CCN13) C (O) (C (= O) OC2) CC
Isomeric smile c (c) [c @] 1 (o) c2 = c (c (c (= o =) cc3) coc1) coc1) Coc1 = O
Inchi
Inchi = 1s / C13H13NO5 / C1-2-13 (18) 8-5-9-10 (9) 6) 6) 6) 6) 60,6H3 / S1 / S1
Yawe sa inchi
Igkwogmvayvsj-zdussckksa-n
5 ubang mga ngalan alang sa kini nga sangkap
. 1h-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -Trione, 4- 8yl-7,8-hydroxy-, (ZCI); (4s) -4-Ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] Indolizine-3,60 (4H) Trione; (4s) -4-Ethyl-4-
Hydroxy-7,8-dihydro-1h-Pyrano [3h-f] Indolizine-3,6,10-Troneon; (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] Indolizine-3,60 (4H)
| Mga kabtangan nga magamit |
| Optical ug nagkatibulaag |
| Sa teserminal |
Optical ug nagkatibulaag
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Optical Rotatory Gahum | +120.6 deg | c: 0.62 g / 100ml; Solvent: Chloroform | (1) IC |
| Optical Rotatory Gahum | +120.57 deg | c: 0.62 g / 100ml; Solvent: chloroform; Temp: 20 ° C | (2) IC |
| Optical Rotatory Gahum | +119.57 deg | c: 1.0 g / 100ml; Solvent: chloroform; λ: 589.3 NM; Tats: 25 ° C | (3) cas |
| Optical Rotatory Gahum | +119.57 degree · ml / gm dm | c: 1.0 g / 100ml; Solvent: chloroform; λ: linya sa sodium; Tats: 25 ° C | (4) cas |
| Optical Rotatory Gahum | +117.6 deg | C: 0.56 g / 100ml; Solvent: chloroform; Temp: 23 ° C | (5) IC |
| Optical Rotatory Gahum | +116.14 Degree · ml / gm dm | c: 1.0 g / 100ml; Solvent: chloroform; λ: linya sa sodium; Temps: 26 ° C | (4) cas |
| Optical Rotatory Gahum | +96 deg | c: 0.40 g / 100ml; Temp: 21 ° C | (6) IC |
| Optical Rotatory Gahum | +77.8 deg | c: 0.62 g / 100ml; Solvent: chloroform; λ: 589.3 NM; Tats: 25 ° C | (7) cas |
(1) Terasawa, Hirofumi; Chemical & Pharmaceutical Bulletin, (1989), 37 (12), 3382-5, CAPLUS
(2) Tagawa, Hiroaki; EP220601, A1, 1987, CAPLUS
(3) Henegar, Kevin E.; Journal sa Organic Chemistry, (1997), 62 (19), 6588-6597, CAPLUS
(4) Watanabe, Tatsuya; Chemistry - usa ka journal sa Asia, (2013), 8 (3), 630-638, caplus
(5) EJima, Akio; Journal of the Chemical Society, Perkin Transaksyon 1: Organic ug Bio-Organic Chemistry (1972-1999), (1990) (27-31, CAPLUS
(6) Waniy, Mansukh c.; Journal of Medicinal Chemistry, (1987), 30 (12), 2317-19, CAPLUS
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAPLUS
Sa teserminal
| Kabtangan | Bili | Kahimtang | Tinubdan | |
| TELTING POINT | 183-185 ° C (Decomp) | (1) cas | ||
| TELTING POINT | 177.1-178.3 ° C | (2) cas | ||
| TELTING POINT | 176-177 ° C (Decomp) | (3) IC | ||
| TELTING POINT | 169-170 ° C | Solvent: | Ethyl acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAPLUS
(2) Henegar, Kevin E.; Journal sa Organic Chemistry, (1997), 62 (19), 6588-6597, CAPLUS
(3) EJima, Akio; Journal of the Chemical Society, Perkin Transaksyon 1: Organic ug Bio-Organic Chemistry (1972-1999), (1990) (27-31, CAPLUS
(4) Waniy, Mansukh c.; Journal of Medicinal Chemistry, (1987), 30 (12), 2317-19, CAPLUS
Magamit ang Spectra
1h nmr
Misa
| Mga kabtangan nga magamit |
| Biyikolohiya |
| Kimikal |
| Density |
| Lipinski |
| May kalabutan sa istruktura |
| Sa teserminal |
Biyikolohiya
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 1.0 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 10; Tats: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Kimikal
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 7.37 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 7.37 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 7.37 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 7.37 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 7.37 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 7.37 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 7.37 | Ph 7; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 7.37 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 7.33 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 6.94 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | -0.94 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | -0.94 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | -0.94 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | -0.94 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | -0.94 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | -0.94 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | -0.94 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | -0.94 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | -0.94 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | -0.96 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | -0.936 ± 0.842 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 371 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 371 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 371 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 371 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 371 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 371 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 371 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 371 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 371 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 371 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 392 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 371 g / l | Wala'y pulos nga tubig sa Ph 5.53; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 1.41 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.41 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.41 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.41 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.41 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.41 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan | |
| Molar Solubility | 1.41 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD | |
| Molar Solubility | 1.41 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD | |
| Molar Solubility | 1.41 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD | |
| Molar Solubility | 1.41 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD | |
| Molar Solubility | 1.49 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD | |
| Molar Solubility | 1.41 MOL / L | Wala'y pulos nga tubig sa Ph 5.53; Tats: 25 ° C | (1) ACD | |
| Gibug-aton sa molekula | 263.25 | |||
| pka | 11.20 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD | |
| pka | -2.24 ± 0.40 | Kadaghanan sa sukaranan nga temps: 25 ° C | (1) ACD | |
| Purni sa Vapor | 1.29 x 10-20 | Torr | Tats: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Density
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Density | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 174.8 8 5.0 cm3 / Mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Lipinski
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gawasnon nga rotatable nga bugkos | 2 | (1) ACD | |
| H Pagdawat | 6 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Pagdawat Sum | 7 | (1) ACD | |
| logP | -0.936 ± 0.842 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 263.25 |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
May kalabutan sa istruktura
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Dapit sa Polar sa Polar | 83.9 A2 | (1) ACD | |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Sa teserminal
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Point Point | 666.6 ± 55.0 ° C | Press: 760 Torr | (1) ACD |
| ANTHALPY SA VAPORIZATION | 112.17 ± 6.0 KJ / MOL | Press: 760 Torr | (1) ACD |
| Point Point | 357.0 ± 31.5 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Magamit ang Spectra
1h nmr
13C NMR
| Kodigo | Pahayag sa peligro | Tinubdan |
| H319 | Hinungdan sa grabe nga iritasyon sa mata | European Chemical Agency (ECHA) Inslishification & Gipahibalo nga Klasipikasyon sa Klasipikasyon sa Europa - Gipahibalo nga Klasipikasyon ug Kinaandan nga Mga Pahibalo sa Churching Alpication |
| H302 | Makadaot kung gilamoy | European Chemical Agency (ECHA) Inslishification & Gipahibalo nga Klasipikasyon sa Klasipikasyon sa Europa - Gipahibalo nga Klasipikasyon ug Kinaandan nga Mga Pahibalo sa Churching Alpication |
Kompidensyal nga Impormasyon sa Negosyo: Publiko
| Regulatory Sonkyms | ||
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-Pyranno (3,4-F) Indolizine-3,60 (4H) -TIE | - | Prayil |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1h-Pyranno [3h-f] Indolizine - 3,6,10 (4H) | - | Prayil |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-f) Indolizin-3,6,10 (4H) -Trion | - | Danish, German |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-Pyrano (3,4-F) nga 3,6,10 (4H) -Trion | - | Dutch |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] Indolizin-3,6,10 (4H) -Trion | - | Danish, German |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-Pyrano [3,4-f] Indolizine-3,60 (4H) -Trion | - | Dutch |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] Indolizine-3,60 (4H) | - | - |
| (S) -4-ETIL-4-HIDROXI-7,8-DIHIDRO-1H-PIRANO (3,4-F) Indolizina-3,10 (4H) | - | Portuguese, Spanish |
| . | - | Portuguese, Spanish |
| (S) -4-ETIL-4-IDRossi-7,8-Diidro-1h-Piroran (3,4-F) Indolizin-3,60 (4H) -TIKE | - | Dugante |
| (S) -4-ETIL-4-IDROSSI-7,8-DIIDRO-1H-PIRANOLY. " | - | Dugante |
| (S) -4-ETYL-4-Hydroxi-7,8-dihydro-1h-Pyrano (3,4-F) nga 3,6,10 (4H) | - | Swedish |
| (S) -4-ETYL-4-Hydroxi-7,8-dihydro-1h-Pyrano [3,4-f] Indolizin-3,6,10 (4H) | - | Swedish |
| (S) -4-Etyyli-4-hydroksi-7,8-dihydro-1h-Pyrano (3,4-F) Indolitsiini-3,6,10 (4H) -Trioni | - | Kapitero |
| (S) -4-Etyyli-4-hydroksi-7,8-dihydro-1h-Pyrano [3,4-f] Indolitsiini-3,6,10 (4H) -Trioni | - | Kapitero |
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