C50H60N5O10P cytidine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl n, n-bis (1-methyl)
Nambari ya Usajili wa CAS
163759-94-2
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 922.01 | - |
PKA (alitabiri) | 8.59 ± 0.40 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical
N#CCCOP (OC1C (OC (N2C = C (C (= NC2 = O) NC (= O) C = 3C = CC = CC3) C) C1OCCOC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = Cc = C (C)
Tabasamu za Isomeric
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) N = C (NC (= O) C3 = CC = CC = C3) C (C) = C4 (C4 (C4) (C4) = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C50H60N5O10P/C1-34 (2) 55 (35 (3) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-18-13-14-19-38,39-20-41-41-5-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-24-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41 . 35,43-45,48h, 15,29-31,33h2,1-8h3, (h, 52,53,56,57)/t43-, 44-, 45-, 48-, 66?/M1/s1
Ufunguo wa Inchi
Fligvmliidvdsn-gicdfoiusa-n
Majina mengine 26 kwa dutu hii
Cytidine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′--O-(2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci); 12: PN: WO03084478 Ukurasa: 57 alidai DNA; 14: PN: US20030170636 Ukurasa: 17 alidai DNA; 15: PN: u
S20030211606 Ukurasa: 19 alidai DNA; 15: PN: US20030212017 Ukurasa: 19 alidai DNA; 16: PN: US20040005569 Ukurasa: 22 Madai ya DNA; 17: PN: US20040006030 Ukurasa: 23 madai ya DNA; 17: PN: US20040014049 Ukurasa: 20 madai ya DNA; 18: PN: US20040014047 PAG E: 20 alidai DNA; 18: PN: US20040014048 Ukurasa: 20 madai ya DNA; 18: PN: US20040014050 Ukurasa: 20 madai ya DNA; 19: PN: u
S20030171313 Ukurasa: 9 alidai DNA; 19: PN: US20030198965 Ukurasa: 20 madai ya DNA; 19: PN: US20040005565 Ukurasa: 17- 22 Alidai DNA; 19: PN: US20040005570 Ukurasa: 20 madai ya DNA; 19: PN: US20040014051 Ukurasa: 22 madai ya DNA; 20: PN: US20040014699 PAG
E: 20 alidai DNA; 21: PN: US20040006029 Ukurasa: 23 madai ya DNA; 21: PN: WO03106645 Ukurasa: 72 alidai DNA; 61: PN: US20030
166592 Ukurasa: 15 alidai DNA; 7: PN: WO2005006958 Ukurasa: 62 alidai DNA; 84: PN: US20040171566 Ukurasa: 18 alidai DNA; 92:
PN: US20040005707 Ukurasa: 20 madai ya DNA; 9: PN: WO2005007825 Ukurasa: 62 alidai DNA;N4-benzoyl-2 ′-O-Methoxyethyl-5-O-dimethoxytrityl-5-methylcytidine-3 ′ -phosphoramidite;N4-benzoyl-2 ′-O-Methoxyethyl -5 ′ -O-Dimethoxytrityl-5-methylcytidine-3 ′-amidite
Spectra inapatikana
13 C NMR
Hetero nmr
Mali inapatikana
Kibaolojia
Kemikali
Lipinski
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 171 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1250 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 47600 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 6.44 x 105 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.00 x 106 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.00 x 106 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.00 x 106 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 7.79 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.63 x 105 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 30800 | pH 10; Temp: 25 ° c | (1) ACD |
.
Mali | Thamani | Hali | Chanzo |
KOC | 106 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 773 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 29500 | pH 3; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
KOC | 3.99 x 105 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 8.02 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 8.70 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 8.16 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 4.83 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 1.01 x 105 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 19100 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 4.48 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 5.34 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 6.92 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 8.06 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 8.36 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 8.39 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 8.37 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 8.14 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 7.46 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 6.73 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 8.401 ± 0.723 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 1.4 x 10-4 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.1 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.16 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 4.1 x 10-3 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.0 x 10-4 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.5 x 10-4 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.4 x 10-4 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.5 x 10-4 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.5 x 10-4 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.2 x 10-3 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 6.3 x 10-3 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.5 x 10-4 g/l | Maji yasiyokuwa na maji pH 6.97; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 1.5 x 10-7 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.2 x 10-3 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 1.7 x 10-4 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.4 x 10-6 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.2 x 10-7 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.6 x 10-7 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.5 x 10-7 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.6 x 10-7 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.7 x 10-7 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.3 x 10-6 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.8 x 10-6 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.6 x 10-7 mol/l | Maji yasiyokuwa na maji pH 6.97; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 922.01 | ||
PKA | 8.59 ± 0.40 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
PKA | 3.87 ± 0.20 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
.
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 22 | (1) ACD | |
Wapokeaji | 15 | (1) ACD | |
H wafadhili | 1 | (1) ACD | |
H wafadhili/jumla ya jumla | 16 | (1) ACD | |
Logp | 8.401 ± 0.723 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 922.01 |
.
Mali | Thamani | Chanzo cha hali |
Eneo la uso wa polar | 176 A2 | (1) ACD |
.
Spectra inapatikana
1 H NMR
13 C NMR