C20H21NO4 1-Pyrrolidinecarocyliclic acid, 4-hydroxy-2- (hydroxymethyl) - (2-ylmeten-9-ylmmethyl ester, (2-ylmeten-9-ylmmethyl ester, (2-ylmeten-9-ylmmethyl ester, (2-ylmetenl sa 9-ylmethyl
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 339.39 | - |
| Boiling Point (Gitagna) | 549.8 ± 40.0 ° C | Press: 760 Torr |
| Densidad (gitagna) | 1.318 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 14.53 ± 0.40 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Spyes O = C (Occ1c = 2C = CC = CC2C = 3C = CC31) N4CP (O) CC4C
Isomeric Smile C (OC (= o) N1 [C @ H] (C @@c (cc2) = cc = cc4
Inchi
Inchi = 1s / C20H21no4 / C22-11-13-9-14 (23) 10-21-1-7-15-7-15-7-15-7-15-7-18 (16) 19)
H2 / T13-, 14 + / M0 / S1
Yawe sa inchi
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3 Uban pang mga Ngalan alang sa kini nga sangkap
1-Pyrrolidinecarboxyliclic acid, 4-hydroxy-2- (hydroxymethyl) -, 9h-fluoren-9-ylmetyl ester, (2s-trans) - (zCI); 9h-fluoren-9-ylmethyl (2s, 4r) -4-hydroxy-2- (hydroxymetylslate (Aci); (3r, 5s) -n-Fmoc-3-hydroxypyrrolidine-5-methanol
| Mga kabtangan nga magamit |
| Biyikolohiya |
| Kimikal |
| Density |
| Lipinski |
| May kalabutan sa istruktura |
| Sa teserminal |
Biyikolohiya
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 49.6 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 49.6 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 49.6 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 49.6 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 49.6 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 49.6 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 49.6 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 49.6 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 49.6 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 49.6 | 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 | 569 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 569 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 569 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 569 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 569 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 569 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 569 | Ph 7; Tats: 25 ° C | (1) ACD |
| Lang | 569 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 569 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 569 | Ph 10; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| troso | 2.53 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | 2.53 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | 2.53 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 2.53 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 2.53 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 2.53 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 2.53 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 2.53 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 2.53 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 2.53 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 2.534 ± 0.636 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.078 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.078 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 2.3 x 10-4 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 2.3 x 10-4 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 339.39 | ||
| pka | 14.53 ± 0.40 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | -3.10 ± 0.60 | Kadaghanan sa sukaranan nga temps: 25 ° C | (1) ACD |
| Purni sa Vapor | 6.35 x 10-13 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 | 1.318 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 257.3 ± 3.0 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 | 6 | (1) ACD | |
| H Pagdawat | 5 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor / Pagdawat Sum | 7 | (1) ACD | |
| logP | 2.534 ± 0.636 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 339.39 |
(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 | 70.0 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 | 549.8 ± 40.0 ° C | Press: 760 Torr | (1) ACD |
| ANTHALPY SA VAPORIZATION | 87.32 ± 7 KJ / MOL | Press: 760 Torr | (1) ACD |
| Point Point | 286.3 ± 27.3 ° 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
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