C43H55N4O10P Uridine, 5 ′ -O- methylethyl) fosifore amidite] (ACI)
Numero ya CAS
163878-63-5
H302
Ibyingenzi Byumubiri | Agaciro | Imiterere |
Uburemere bwa molekile | 818.89 | - |
pKa (Byahanuwe) | 9.55 ± 0.10 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical
N # CCCOP (OC1C (OC (N2C = C (C (= O) NC2 = O) C) C1OCCOC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) 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 (= O) NC (= O) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5
InChI
InChI = 1S / C43H55N4O10P / c1-29 (2) 47 (30 (3) 4) 58 (55-24-12-23-44) 57-38-37 (56-41 (39 (38) 53-26- 25-50-6) 46-27-31 (5) 40 (48) 45-42 (46) 49) 2 8-54-43 (32-13-10-9-11-14-32,33-15-19-35 (51-7) 20-16-33) 34-17-21-36 (52-8) 22-18-34 / h9-11,13-22,27,29-30,37-39,41H, 12,24-26,28H2, 1-8H3, (H, 45,48,49) / t37- , 38-, 39-, 41-, 58? / M1 / s1
InChI Urufunguzo
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Andi mazina kuriyi ngingo
Uridine, 5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O- (2-mikorerexyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl bis (1-methylethyl) fosifore
amidite] (9CI); 10: PN: US20030212017 URUPAPURO: 18 basabye RNA; 11: PN: US20030211606 URUPAPURO: 18 basabye RNA; 13: PN: US20040
005569 URUPAPURO: 21 basabye RNA; 13: PN: US20040006030 URUPAPURO: 22 basabye RNA; 13: PN: US20040014048 URUPAPURO: 19 basabye RNA; 13: PN: US20040014049 URUPAPURO: 19 basabye RNA; 14: PN: US20030198965 URUPAPURO: 19 basabye RNA; 14: PN: US20040005565 URUPAPURO: 17- 22 basabye RNA; 14: PN: US20040005570 URUPAPURO: 19 basabye RNA; 14: PN: US20040014047 URUPAPURO: 19 basabye RNA; 14: PN: US20040
014699 URUPAPURO: 19 basabye RNA; 15: PN: US20040014050 URUPAPURO: 19 basabye RNA; 15: PN: US20040014051 URUPAPURO: 21 basabye RNA; 15:
PN: WO03106645 URUPAPURO: 69 basabye RNA; 16: PN: US20040006029 URUPAPURO: 22 basabye RNA; 87: PN: US20040005707 URUPAPURO: 19 basabye RNA
Spectra irahari
1 H NMR
13 C NMR
Hetero NMR
Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye
Umutungo | Agaciro | Imiterere | Inkomoko |
Ikintu cya Bioconcentration | 348 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 2810 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 21100 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 63100 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 78800 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 80800 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 80800 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 78800 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 63400 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Ikintu cya Bioconcentration | 21800 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 487 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 3940 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 29600 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 88400 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Koc | 1.10 x 105 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.13 x 105 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.13 x 105 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 1.10 x 105 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 88800 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Koc | 30600 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 4.39 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 5.30 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.18 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.65 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.75 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.76 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.76 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.75 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.65 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
logD | 6.19 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
logP | 6.761 ± 0.669 | Ubushyuhe: 25 ° C. | (1) ACD |
Mass Massins Solubility | 2.0 x 10-4 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 0.046 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 5.7 x 10-3 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 7.6 x 10-4 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 2.5 x 10-4 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 2.0 x 10-4 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 2.0 x 10-4 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 2.0 x 10-4 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 2.0 x 10-4 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 2.5 x 10-4 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 7.4 x 10-4 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Gukemura ibibazo | 2.0 x 10-4 g / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
Molar Intrinsic Solubility | 2.4 x 10-7 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 5.6 x 10-5 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 7.0 x 10-6 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
Umutungo | Agaciro | Imiterere | Inkomoko |
Amashanyarazi | 9.3 x 10-7 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 3.1 x 10-7 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 2.5 x 10-7 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 2.4 x 10-7 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 2.4 x 10-7 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 2.5 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 | 9.0 x 10-7 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
Amashanyarazi | 2.4 x 10-7 mol / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 818.89 | ||
pKa | 9.55 ± 0.10 | 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 | 14 | (1) ACD | |
H Abaterankunga | 1 | (1) ACD | |
H Abaterankunga / Abemera Sum | 15 | (1) ACD | |
logP | 6.761 ± 0.669 | Ubushyuhe: 25 ° C. | (1) ACD |
Uburemere bwa molekile | 818.89 |
.
Umutungo | Agaciro | Inkomoko |
Ubuso bwa polarike | 164 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 |