C53H66N7O8PSi URUBANZA OYA.: 104992-55-4 Adenosine, N-benzoyl-5 ′ -O- - [2-cyanoethyl N, N-bis (1- methylethyl) phosphoramidite] (ACI)
Numero ya CAS
104992-55-4
Ibyingenzi Byumubiri | Agaciro | Imiterere |
Uburemere bwa molekile | 988.19 | - |
pKa (Byahanuwe) | 7.87 ± 0.43 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical
N # CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1O [Si] (C) (C) C (C) (C) C ) COC (C = 5C = CC = CC5) (C6 = CC = C (OC) C = C6) C7 = CC = C (OC) C = C7) N (C (C) C) C (C) C
Isomeric SMILES
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC # N) [C @@ H] (O [Si] (C (C) (C) C) (C) C) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
InChI
InChI = 1S / C53H66N7O8PSi / c1-36 (2) 60 (37 (3) 4) 69 (65-32-18-31-54) 67-46-44 (33-64-53 (39-21-16- 13-17-22-39,40-23-27-42 (62-8) 28-24-40) 41-25-29-43 (63-9) 30-26-41) 66-51 (47 ( 46) 68-70 (10,11) 52 (5,6) 7) 59-35-57-45-48 (55-34-56-49 (45) 59) 58-50 (61) 38-19- 14-12-15-20-38 / h1 2-17,19-30,34-37,44,46-47,51H, 18,32-33H2,1-11H3, (H, 55,56,58, 61) / t44-, 46-, 47-, 51-, 69? / M1 / s1
InChI Urufunguzo
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Irindi zina kuriyi ngingo
Adenosine,N-benzoyl-5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O- [(1,1-dimethylethyl) dimethylsilyl] -, 3 ′ -
Spectra irahari
Misa
Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye
Umutungo | Agaciro | Imiterere | Inkomoko |
Ikintu cya Bioconcentration | 5.50 x 105 | 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 |
.
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 61500 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.64 x 106 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.00 x 107 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 3.20 x 106 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 9.24 x 105 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.81 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 10.24 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 11.24 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 11.73 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 11.83 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 11.83 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 11.75 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 11.31 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 10.53 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 9.99 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logP | 11.845 ± 0.715 | Ubushyuhe: 25 ° C. | (1) ACD |
Mass Massins Solubility | 1.2 x 10-5 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.5 x 10-3 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.1 x 10-4 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 9.9 x 10-6 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.4 x 10-6 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 2.7 x 10-6 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 2.7 x 10-6 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.2 x 10-6 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 8.9 x 10-6 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 6.3 x 10-5 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.2 x 10-4 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.2 x 10-6 g / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
Molar Intrinsic Solubility | 1.2 x 10-8 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 3.5 x 10-6 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.1 x 10-7 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.0 x 10-8 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 3.4 x 10-9 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 2.7 x 10-9 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 2.7 x 10-9 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 3.2 x 10-9 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Amashanyarazi | 9.0 x 10-9 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 6.4 x 10-8 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 4.2 x 10-7 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 3.2 x 10-9 mol / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 988.19 | ||
pKa | 7.87 ± 0.43 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
pKa | 3.45 ± 0.70 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
Umutungo | Agaciro | Imiterere | Inkomoko |
Impapuro zishobora guhinduka | 21 | (1) ACD | |
H Abakira | 15 | (1) ACD | |
H Abaterankunga | 1 | (1) ACD | |
H Abaterankunga / Abemera Sum | 16 | (1) ACD | |
logP | 11.845 ± 0.715 | Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 988.19 |
Umutungo | Agaciro | Inkomoko |
Ubuso bwa polarike | 178 A2 | (1) ACD |
.
Iterambere rya Chimie Itezimbere (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra irahari
1 H NMR
13 C NMR