C39H37N5O7 Adenosine, N-benzoyl-5′-O-
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 687.74 | - |
| Ubucucike (Biteganijwe) | 1.32 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 7.87 ± 0.43 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C (NC1 = NC = NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6 ) C (O) C3OC) C = 7C = CC = CC7
Isomeric SMILES
C (OC [C @ H] 1O [C @ H] ([C @ H] (OC) [C @@ H] 1O) N2C = 3C (N = C2) = C (NC (= O) C4 = CC = CC = C4) N = CN3) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
InChI
InChI = 1S / C39H37N5O7 / c1-47-29-18-14-27 (15-19-29) 39 (26-12-8-5-9-13-26,28-16-20-30 (48- 2) 21-17-28) 50-22-31-33 (45) 34 (49-3) 38 (51- 31) 44-24-42-32-35 (40-23-41-36 (32) 44) 43-37 (46) 25-10-6-4-7-11-25 / h4-21,23- 24,31,33-34,38,45H, 22H2,1-3H3, (H, 40,41,43,46) / t31-, 33-,
34-, 38- / m1 / s1
InChI Urufunguzo
SARHDAQOZNKZCC-CJEGOSRCSA-N
1 Irindi zina kuriyi ngingo
N-Benzoyl-5′-O- [bis (4-mikorerexyphenyl) fenylmethyl] -2′-O-methyladenosine (ACI)
Spectra irahari
1H NMR
13C NMR
Misa
Ibyiza birahari
Ibinyabuzima
Imiti
Ubucucike
Lipinski
Imiterere ijyanye
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 47800 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.63 x 105 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.16 x 105 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.23 x 105 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.23 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.18 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.79 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 64900 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 10600 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 3110 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 50200 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.71 x 105 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 2.26 x 105 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 2.34 x 105 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 2.34 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 2.29 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.88 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 68000 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 11200 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 3260 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.67 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.21 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.33 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.34 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.34 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.33 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.25 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.80 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.02 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 5.49 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 7.344 ± 0.723 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 2.7 x 10-6 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.2 x 10-5 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.7 x 10-6 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.8 x 10-6 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.8 x 10-6 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.8 x 10-6 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.8 x 10-6 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.4 x 10-6 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 9.6 x 10-6 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.7 x 10-5 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.9 x 10-4 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.4 x 10-6 g / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 3.9 x 10-9 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.8 x 10-8 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 5.4 x 10-9 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.1 x 10-9 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.0 x 10-9 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.0 x 10-9 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 4.0 x 10-9 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.9 x 10-9 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.4 x 10-8 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 8.3 x 10-8 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.8 x 10-7 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.9 x 10-9 mol / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 687.74 | ||
| pKa | 7.87 ± 0.43 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | 1.39 ± 0.10 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.32 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 518.5 ± 7.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 12 | (1) ACD | |
| H Abakira | 12 | (1) ACD | |
| H Abaterankunga | 2 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 14 | (1) ACD | |
| logP | 7.344 ± 0.723 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 687.74 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 139 A2 | (1) ACD | |
.
Spectra irahari
1H NMR
Spectra irahari
13C NMR
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