C47H60N7O10P Guanosine, 5 ′ -O- , N-bis (1-methylethyl) phosphoramidite] (ACI)
Numero ya CAS
251647-55-9
H302
Ibyingenzi Byumubiri | Agaciro | Imiterere |
Uburemere bwa molekile | 914.00 | - |
pKa (Byahanuwe) | 9.16 ± 0.20 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical
N # CCCOP (OC1C (OC (N2C = NC = 3C (= O) N = C (NC (= O) C (C) C) NC32) C1OCCOC) 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] (OCCOC) [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 / C47H60N7O10P / c1-30 (2) 43 (55) 51-46-50-42-39 (44 (56) 52-46) 49-29-53 (42) 45-41 (60-27- 26-57-7) 40 (64-65 (62-25-13-24-48) 54 ( 31 (3) 4) 32 (5) 6) 38 (63-45) 28-61-47 (33-14-11-10-12-15-33,34-16-20-36 (58-8) 21-17-34) 35-18-22-37 (59-9) 23-19-35 / h10-12,14-23,29-32,38 , 40-41,45H, 13,25-28H2,1-9H3, (H2,50,51,52,55,56) / t38-, 40-, 41-, 45-, 65? / M1 / s1
InChI Urufunguzo
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Andi mazina kuriyi ngingo
Guanosine, 5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O- (2-mikorerexyethyl) -N- (2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl bis (1- methylethyl) phosphoramidite] (9CI); 17: PN: US20030212017 URUPAPURO: 20 byavuzwe bikurikirana; 18: PN: US20030211606 URUPAPURO: 20
ikurikirana; 19: PN: US20040005569 URUPAPURO: 22 byavuzwe bikurikiranye; 21: PN: US20040006030 URUPAPURO: 23 basabye urukurikirane; 21: PN: US20040014047 URUPAPURO: 21 rwasabye urukurikirane; 21: PN: US20040014049 URUPAPURO: 21 rwasabye urukurikirane; 22: PN: US20030198965 URUPAPURO
E: 20 byavuzwe bikurikirana; 22: PN: US20040005570 URUPAPURO: 21 rwasabye urukurikirane; 22: PN: US20040014048 URUPAPURO: 21 rwasabye urukurikirane;
22: PN: US20040014050 URUPAPURO: 21 rwasabye urukurikirane; 23: PN: US20040005565 URUPAPURO: 17- 22 basabye urukurikirane; 23: PN: US20040
014051 URUPAPURO: 23 basabye urukurikirane; 24: PN: US20040014699 URUPAPURO: 21 rwasabye urukurikirane; 25: PN: US20040006029 URUPAPURO: 23 rwasabye urukurikirane; 25: PN: WO03106645 URUPAPURO: 73 rwasabye urukurikirane; 96: PN: US20040005707 URUPAPURO: 21 rwasabye urukurikirane
Spectra irahari
13 C NMR
Hetero NMR
Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye
Umutungo | Agaciro | Imiterere | Inkomoko |
Ikintu cya Bioconcentration | 121 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 2580 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 23500 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 71800 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 89800 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 92100 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 91300 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 82500 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 42200 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 7860 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 164 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 3480 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 31700 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 96900 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.21 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 1.24 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.23 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.11 x 105 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 56900 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 10600 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 3.95 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 5.28 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.24 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.73 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.82 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.83 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.83 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.79 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.50 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 5.77 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logP | 6.837 ± 0.764 | Ubushyuhe: 25 ° C. | (1) ACD |
Mass Massins Solubility | 4.4 x 10-4 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 0.34 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 0.016 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.7 x 10-3 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 5.7 x 10-4 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.6 x 10-4 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.4 x 10-4 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.5 x 10-4 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.9 x 10-4 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 1.0 x 10-3 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 5.2 x 10-3 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 4.5 x 10-4 g / L. | Amazi adafite amazi pH 6.99; Ubushyuhe: 25 ° C. | (1) ACD |
Molar Intrinsic Solubility | 4.8 x 10-7 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 3.7 x 10-4 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.7 x 10-5 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.9 x 10-6 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Amashanyarazi | 6.2 x 10-7 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.0 x 10-7 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 4.8 x 10-7 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 4.9 x 10-7 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.4 x 10-7 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 1.1 x 10-6 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.7 x 10-6 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 4.9 x 10-7 mol / L. | Amazi adafite amazi pH 6.99; Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 914.00 | ||
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 | 22 | (1) ACD | |
H Abakira | 17 | (1) ACD | |
H Abaterankunga | 2 | (1) ACD | |
H Abaterankunga / Abemera Sum | 19 | (1) ACD | |
logP | 6.837 ± 0.764 | Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 914.00 |
.
Umutungo | Agaciro | Inkomoko |
Ubuso bwa polarike | 203 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 |