C41H41N5O8 Adenosine, N-benzoyl-5′-O-
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 731.79 | - |
| Ingingo yo gushonga (Ubushakashatsi) | 119-121 ° C. | - |
| Ubucucike (Biteganijwe) | 1.31 ± 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) C3OCCOC) C = 7C = CC = CC7
Isomeric SMILES
C (OC [C @ H] 1O [C @ H] ([C @ H] (OCCOC) [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 / C41H41N5O8 / c1-49-22-23-52-36-35 (47) 33 (54-40 (36) 46-26-44-34-37 (42-25-43-38 (34) 46) 45-39 (48) 27-10-6-4-7-11-27) 24-53- 41 (28-12-8-5-9-13-28,29-14-18-31 ( 50-2) 19-15-29) 30-16-20-32 (51-3) 21-17-30 / h4-21,25-26,33,35-36,40,47H, 22-24H2, 1-3H3, (H, 42,43,45,48) / t33-, 35-, 36-, 40- / m1 / s1
InChI Urufunguzo
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Andi mazina kuriyi ngingo
N-Benzoyl-5′-O- 17: PN: US20030211606 URUPAPURO: 19 rwasabye urukurikirane; 18: PN: US20040005569 URUPAPURO: 22 byavuzwe bikurikiranye; 20: PN: US20040006030 URUPAPURO: 23 basabye urukurikirane; 20: PN: US20040014047 URUPAPURO: 21 rwasabye urukurikirane; 20: PN: US20040014049 URUPAPURO: 21 rwasabye urukurikirane; 21: PN: US20040005570 URUPAPURO
E: 20 byavuzwe bikurikirana; 21: PN: US20040014048 URUPAPURO: 21 rwasabye urukurikirane; 21: PN: US20040014050 URUPAPURO: 20 byavuzwe bikurikiranye; 22: PN: US20040005565 URUPAPURO: 17- 22 basabye urukurikirane; 22: PN: US20040014051 URUPAPURO: 23 rwasabye urukurikirane; 23: PN: US20040 014699 URUPAPURO: 20 byavuzwe bikurikiranye; 24: PN: US20040006029 URUPAPURO: 23 basabye urukurikirane; 24: PN: WO03106645 URUPAPURO: 73 rwasabye urukurikirane; 5′-Dimethoxytrityl-2′-O- (2-Methoxyethyl) -N6-benzoyl adenosine; 95: PN: US20040005707 URUPAPURO: 20 byavuzwe bikurikiranye
| Ibyiza birahari |
| Ubushyuhe |
Ubushyuhe
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ingingo yo gushonga | 119-121 ° C. | (1) URUBANZA | |
(1) Penjarla, Srishylam; Nucleoside, Nucleotide & Acide Nucleic, (2018), 37 (4), 232-247, CAplus
Spectra irahari
1H NMR
13C NMR
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 31700 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.08 x 105 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.43 x 105 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.48 x 105 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.48 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.45 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.19 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 43000 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 7050 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 2060 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 37400 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.28 x 105 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.69 x 105 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.74 x 105 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.74 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.71 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.40 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 50700 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 8320 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 2430 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.44 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.97 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.09 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.11 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.11 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.10 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.01 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.57 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 5.78 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 5.25 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 7.109 ± 0.766 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 5.6 x 10-6 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.6 x 10-5 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 7.3 x 10-6 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.8 x 10-6 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.6 x 10-6 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.6 x 10-6 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.7 x 10-6 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 7.0 x 10-6 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Gukemura ibibazo | 1.9 x 10-5 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.2 x 10-4 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.0 x 10-4 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 7.0 x 10-6 g / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 7.6 x 10-9 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.6 x 10-8 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.0 x 10-8 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.9 x 10-9 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.7 x 10-9 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.7 x 10-9 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 7.8 x 10-9 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 9.6 x 10-9 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.6 x 10-8 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.6 x 10-7 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 5.5 x 10-7 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 9.5 x 10-9 mol / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 731.79 | ||
| 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 | 1.31 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 556.9 ± 7.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 15 | (1) ACD | |
| H Abakira | 13 | (1) ACD | |
| H Abaterankunga | 2 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 15 | (1) ACD | |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| logP | 7.109 ± 0.766 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 731.79 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 148 A2 | (1) ACD | |
.
Spectra irahari
1H NMR
13C NMR
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