C41H39NO6 1-Acide ya Pyrrolidinecarboxylic, 2 - [
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 641.75 | - |
| Ingingo yo guteka (Biteganijwe) | 768.7 ± 60.0 ° C. | Kanda: 760 Torr |
| Ubucucike (Biteganijwe) | 1.237 ± 0.06 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 14.50 ± 0.40 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C (OCC1C = 2C = CC = CC2C = 3C = CC = CC31) N4CC (O) CC4COC (C = 5C = CC = CC5) (C6 = CC = C (OC) C = C6) C7 = CC = C (OC) C = C7
SMILES Isomeric C (OC [C @ H] 1N (C (OCC2C = 3C (C = 4C2 = CC = CC4) = CC = CC3) = O) C [C @ H] (O) C1) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
InChI
InChI = 1S / C41H39NO6 / c1-45-33-20-16-29 (17-21-33) 41 (28-10-4-3-5-11-28,30-18-22-34 (46-2) 23-19-30) 48-26-31-24-32 (43) 25-42 (31) 40 ( 44) 47-27-39-37-14-8-6-12-35 (37) 36-13-7-9-15-38 (36) 39 / h3-23,31-32,39,43H, 24-27H2,1-2H3 / t31-, 32 + / m0 / s1
InChI Urufunguzo
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Andi mazina kuriyi ngingo
1-Acide ya Pyrrolidinecarboxylic, 2 - [ 9H-Fluoren-9-ylmethyl (2S, 4R) -2 - [[bis.
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
| Ubushyuhe |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 7.70 x 105 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.70 x 105 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.70 x 105 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.70 x 105 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.70 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.70 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.70 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.70 x 105 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.70 x 105 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| logD | 8.29 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.29 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.29 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.29 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.29 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.29 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.29 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.29 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.29 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.29 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 8.289 ± 0.729 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 4.7 x 10-6 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.7 x 10-6 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.7 x 10-6 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.7 x 10-6 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.7 x 10-6 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.7 x 10-6 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.7 x 10-6 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.7 x 10-6 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.7 x 10-6 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.7 x 10-6 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.7 x 10-6 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.7 x 10-6 g / L. | Amazi adafite amazi pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 7.3 x 10-9 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.3 x 10-9 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.3 x 10-9 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.3 x 10-9 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.3 x 10-9 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.3 x 10-9 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.3 x 10-9 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.3 x 10-9 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.3 x 10-9 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 7.3 x 10-9 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.3 x 10-9 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.3 x 10-9 mol / L. | Amazi adafite amazi pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 641.75 | ||
| pKa | 14.50 ± 0.40 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | -3.24 ± 0.60 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
| Umuvuduko w'umwuka | 7.42 x 10-25 Torr | Ubushyuhe: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.237 ± 0.06 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 518.4 ± 3.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 12 | (1) ACD | |
| H Abakira | 7 | (1) ACD | |
| H Abaterankunga | 1 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 8 | (1) ACD | |
| logP | 8.289 ± 0.729 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 641.75 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 77.5 A2 | (1) ACD | |
.
Ubushyuhe
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ingingo | 768.7 ± 60.0 ° C. | Kanda: 760 Torr | (1) ACD |
| Umwuka wo guhumeka | 117.42 ± 3.0 kJ / mol | Kanda: 760 Torr | (1) ACD |
| Flash point | 418.7 ± 32.9 ° C. | (1) ACD |
.
Spectra irahari
1H NMR
13C NMR
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