C50H58N7O9P Adenosine, N-benzoyl-5 ′ -O- ) fosifora] (ACI)
Numero ya CAS
251647-53-7
H302
Ibyingenzi Byumubiri | Agaciro | Imiterere |
Uburemere bwa molekile | 932.01 | - |
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) C1OCCOC) 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] (OCCOC) [C @@ H] (O1) 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 / C50H58N7O9P / c1-34 (2) 57 (35 (3) 4) 67 (64-28-14-27-51) 66-44-42 (31-63-50 (37-17-12- 9-13-18-37,38-19-23-40 (60-6) 24-20-38) 3 9-21-25-41 (61-7) 26-22-39) 65-49 (45 (44) 62-30-29-59-5) 56-33-54-43-46 (52-32- 53-47 (43) 56) 55-48 (58) 36-15-10-8-11-16-36 / h8-13,15-26, 32-35,42,44-45,49H, 14,28-31H2,1-7H3, (H, 52,53,55,58) / t42-, 44-, 45-, 49-, 67? / M1 / s1
InChI Urufunguzo
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Andi mazina kuriyi ngingo
Adenosine,N-benzoyl-5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O- (2-mikorerexyethyl) -, 3 ′ - [2-cyanoethyl bis (1-methylethyl)
phosphoramidite] (9CI); 16: PN: US20030211606 URUPAPURO: 19 rwasabye urukurikirane; 16: PN: US20030212017 URUPAPURO: 20 byavuzwe bikurikiranye; 17: PN: US20040005569 URUPAPURO: 22 byavuzwe bikurikiranye; 19: PN: US20040006030 URUPAPURO: 23 basabye urukurikirane; 19: PN: US20040014047
URUPAPURO: 21 byavuzwe bikurikiranye; 19: PN: US20040014049 URUPAPURO: 21 rwasabye urukurikirane; 20: PN: US20040005570 URUPAPURO: 20 basabwe
Urukurikirane; 20: PN: US20040014048 URUPAPURO: 21 rwasabye urukurikirane; 20: PN: US20040014050 URUPAPURO: 20 byavuzwe bikurikiranye; 21: PN: U.
S20040005565 URUPAPURO: 17-22 basabye urukurikirane; 21: PN: US20040014051 URUPAPURO: 23 rwasabye urukurikirane; 22: PN: US20040014699 URUPAPURO: 20 byavuzwe bikurikiranye; 23: PN: US20040006029 URUPAPURO: 23 rwasabye urukurikirane; 23: PN: WO03106645 URUPAPURO: 73 rwasabye urukurikirane; 94: P N: US20040005707 URUPAPURO: 20 byavuzwe bikurikiranye
Spectra irahari
1 H NMR
13 C NMR
Hetero NMR
Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye
Umutungo | Agaciro | Imiterere | Inkomoko |
Ikintu cya Bioconcentration | 2680 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 71500 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 7.21 x 105 | 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 | 8.48 x 105 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1.39 x 105 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 40300 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 1360 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 36300 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 3.66 x 105 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.13 x 106 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 1.42 x 106 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.42 x 106 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.17 x 106 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 4.30 x 105 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 70800 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 20500 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 5.77 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 7.20 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.20 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.69 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.79 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.79 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.71 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 8.27 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 7.49 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.95 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logP | 8.803 ± 0.766 | Ubushyuhe: 25 ° C. | (1) ACD |
Mass Massins Solubility | 5.4 x 10-5 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 0.051 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.9 x 10-3 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.9 x 10-4 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 6.0 x 10-5 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.8 x 10-5 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.8 x 10-5 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 5.8 x 10-5 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.6 x 10-4 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 9.3 x 10-4 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 3.6 x 10-3 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 5.7 x 10-5 g / L. | Amazi adafite amazi pH 6.97; Ubushyuhe: 25 ° C. | (1) ACD |
Molar Intrinsic Solubility | 5.8 x 10-8 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.5 x 10-5 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 2.0 x 10-6 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Amashanyarazi | 2.0 x 10-7 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 6.4 x 10-8 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.1 x 10-8 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.1 x 10-8 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 6.2 x 10-8 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.7 x 10-7 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.0 x 10-6 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 3.9 x 10-6 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 6.1 x 10-8 mol / L. | Amazi adafite amazi pH 6.97; Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 932.01 | ||
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 | 22 | (1) ACD | |
H Abakira | 16 | (1) ACD | |
H Abaterankunga | 1 | (1) ACD | |
H Abaterankunga / Abemera Sum | 17 | (1) ACD | |
logP | 8.803 ± 0.766 | Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 932.01 |
.
Umutungo | Agaciro | Inkomoko |
Ubuso bwa polarike | 187 A2 | (1) ACD |
.
Spectra irahari
1 H NMR
13 C NMR
Inkomoko ya Code Hazard Inkomoko | |
H302 Byangiza niba byamizwe | Ikigo cy’iburayi gishinzwe imiti (ECHA) Gutondekanya & Kwandika Ibarura - Kumenyeshwa ibyiciro no kuranga - kumenyeshwa cyane, Ikigo gishinzwe imiti (ECHA) Itondekanya & Ibiranga Ibarura - Bimenyeshejwe ibyiciro hamwe na label - imenyesha rikomeye |