C45H56N7O9P Guanosine, 5 ′ -O- (1-methylethyl) phosphoramidite] (ACI)
Numero ya CAS
150780-67-9
H303
Ibyingenzi Byumubiri | Agaciro | Imiterere |
Uburemere bwa molekile | 869.94 | - |
pKa (Byahanuwe) | 9.16 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
N # CCCOP (OC1C (OC (N2C = NC = 3C (= O) N = C (NC (= O) C (C) C) NC32) C1OC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) 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] (OC) [C @@ H] (O1) N2C3 = C (N = C2) C (= O) N = C (NC (C (C) C) = O) N3) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
InChI
InChI = 1S / C45H56N7O9P / c1-28 (2) 41 (53) 49-44-48-40-37 (42 (54) 50-44) 47-27-51 (40) 43-39 (57-9) 38 (61-62 (59-25-13-24-)
46) 52 (29 (3) 4) 30 (5) 6) 36 (60-43) 26-58-45 (31-14-11-10-12-15-31,32-16-20-34 ( 55-7) 21-17-32) 33-18-22-35 (56-8) 23-19-33 / h10-12,14-23,27 -30,36,38-39,43H, 13,25-26H2,1-9H3, (H2,48,49,50,53,54) / t36-, 38-, 39-, 43-, 62? / m1 / s1
InChI Urufunguzo
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Irindi zina kuriyi ngingo
Guanosine, 5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O-methyl-N- (2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)
Spectra irahari
13 C NMR
Hetero NMR
Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye
Umutungo | Agaciro | Imiterere | Inkomoko |
Ikintu cya Bioconcentration | 183 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 3890 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 35500 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1.08 x 105 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1.36 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1.39 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1.38 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 1.24 x 105 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 63600 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 11900 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 220 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 4680 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 42600 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.30 x 105 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.63 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.67 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.65 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.49 x 105 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 76400 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 14200 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.19 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 5.52 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.48 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.96 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 7.06 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 7.07 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 7.07 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 7.02 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.73 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.00 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logP | 7.072 ± 0.721 | Ubushyuhe: 25 ° C. | (1) ACD |
Mass Massins Solubility | 1.2 x 10-4 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 0.096 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.3 x 10-3 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.8 x 10-4 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.6 x 10-4 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.2 x 10-4 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.2 x 10-4 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.2 x 10-4 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.4 x 10-4 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 2.7 x 10-4 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.4 x 10-3 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.2 x 10-4 g / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
Molar Intrinsic Solubility | 1.4 x 10-7 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.1 x 10-4 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.0 x 10-6 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.5 x 10-7 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.8 x 10-7 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.4 x 10-7 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.4 x 10-7 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Amashanyarazi | 1.4 x 10-7 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.6 x 10-7 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 3.1 x 10-7 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.6 x 10-6 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.4 x 10-7 mol / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 869.94 | ||
pKa | 9.16 ± 0.20 | 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 | 19 | (1) ACD | |
H Abakira | 16 | (1) ACD | |
H Abaterankunga | 2 | (1) ACD | |
H Abaterankunga / Abemera Sum | 18 | (1) ACD | |
logP | 7.072 ± 0.721 | Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 869.94 |
.
Umutungo | Agaciro | Inkomoko |
Ubuso bwa polarike | 194 A2 | (1) ACD |
.
Spectra irahari
1 H NMR
13 C NMR
Kode | Amagambo ya Hazard | Inkomoko |
H303 | Birashobora kuba bibi iyo umizwe | Impuguke Yatunganijwe |