C30H28N2O7 6H-fURO [2 ', 3' (2r, 3r, 3As, 9RA 9R) - (9ci, Aci)
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 528.55 | - |
| Pagtunaw sa punto (eksperimento) | 129.5-130 ° C | - |
| Boiling Point (Gitagna) | 688.2 ± 65.0 ° C | Press: 760 Torr |
| Densidad (gitagna) | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 12.51 ± 0.40 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Spyes O = C1N = C2OC3C (O) C (OC3N2C = C1) COP = C (CC) C = C.
Isomeric Smile C (OC [C @ H] 1O [C @@] (CC = C. CC = CC = CC = CC = CC = CC = CC = CC = C.
Inchi
Inchi = 1S / C30H28N2O7 / C1-352-12-12-12-8-20) 30 (19-13-22-5-7-21-23) 34-11-21-26 (34-28) 34 )- 16-25 (33) 31-29 (32-27 / H3-17,24,26-28,34h, 18H2-, 27- / M1 / S1
Yawe sa inchi
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2 ubang mga ngalan alang sa kini nga sangkap
. 6h-furo [2 ', 3' ': 4,5] Oxazolo [3,2-a] pyrimidin-6-usa, 2 -
Tetrahhydro-3-hydroxy-, [2r- (2α, 3β, 3aβ, 9aβ)] - (ZCI)
| Mga kabtangan nga magamit |
| Sa teserminal |
Sa teserminal
| Kabtangan | Bili | Kahimtang | Tinubdan |
| TELTING POINT | 129.5-130 ° C | (1) cas | |
(1) Szlekenier, maurycy; Mga nukleyar sa nukleyar, nucleotides & nucleic acid, (2016), 35 (8), 410-425, caplus
| Magamit ang Spectra |
| 1h nmr |
| 13C NMR |
| IR |
| Misa |
Gitagna nga mga kabtangan
| Mga kabtangan nga magamit |
| Biyikolohiya |
| Kimikal |
| Density |
| Lipinski |
| May kalabutan sa istruktura |
| Sa teserminal |
Biyikolohiya
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 1360 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1360 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1360 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1360 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1360 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1360 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1360 | Ph 7; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 1360 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1360 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1350 | 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 | 6080 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 6080 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 6080 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 6080 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 6080 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 6080 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 6080 | Ph 7; Tats: 25 ° C | (1) ACD |
| Lang | 6080 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 6070 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 6060 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | 4.42 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | 4.42 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | 4.42 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 4.42 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 4.42 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 4.42 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 4.42 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 4.42 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 4.42 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 4.42 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 4.424 ± 0.618 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 5.8 x 10-4 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Mass Solubility | 5.8 x 10-4 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 1.1 x 10-6 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 528.55 | ||
| pka | 12.51 ± 0.40 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | -4.70 ± 0.60 | Kadaghanan sa sukaranan nga temps: 25 ° C | (1) ACD |
| Purni sa Vapor | 6.91 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 | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 389.8 ± 7.0 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 | 9 | (1) ACD | |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| H Pagdawat | 9 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Pagdawat Sum | 10 | (1) ACD | |
| logP | 4.424 ± 0.618 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 528.55 |
(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 | 99.1 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 | 688.2 ± 65.0 ° C | Press: 760 Torr | (1) ACD |
| ANTHALPY SA VAPORIZATION | 105.96 ± 7 KJ / MOL | Press: 760 Torr | (1) ACD |
| Point Point | 370.0 ± ± 34.3 ° 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
![C39H37N5O7 Adenosine, N-Benzoyl-5'-O-- [BIS (4-methoxyphyphyl) Phenylmethyl] -2'- o-methyl- (9ci, Aci)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
