C34H39N3O8 cytidine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methox yethyl) -5-methyl- (9ci, ACI)
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 617.69 | - |
Kiwango cha kuchemsha (kilitabiriwa) | 762.6 ± 70.0 ° C. | Bonyeza: 760 Torr |
Uzani (uliotabiriwa) | 1.27 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
PKA (alitabiri) | 13.31 ± 0.70 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical O = C1N = C (n) C (= CN1C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OCCOC) C.
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (occoc) [C @@ H] 1O) N2C (= O) N = C (N) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5
Inchi
Inchi = 1S/C34H39N3O8/C1-22-20-37 (33 (39) 36-31 (22) 35) 32-30 (43-19-18-40-2) 29 (38) 28 (45-32) 21-44-34 (23-8-5-9-2-2 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25/H5-17,20,28-30,32,38h, 18-19,21H2,1-4H3, (H2,35,36,39)/T28-, 29-, 30-, M1/M1/M1
Ufunguo wa Inchi
Lyktvjxzqtnpk-pbamlimusa-n
Majina mengine 24 kwa dutu hii
5'-O- [BIS (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methoxyethyl) -5-methylcytidine (ACI); 11: PN: US20030170636 Ukurasa: 17 alidai RNA; 12: PN: US20030211606 Ukurasa: 18 alidai r na; 12: PN: US20030212017 Ukurasa: 19 alidai r na; 14: PN: US20040005569 PAG E: 21 walidai r na; 15: PN: US20040005565 Ukurasa: 17- 22 walidai RNA; 15: PN: US20040005570 Ukurasa: 19 alidai r na; 15: PN: U S20040006030 Ukurasa: 22 Madai ya R NA; 15: PN: US20040014048 Ukurasa: 19 alidai R NA; 16: PN: US20030171313 Ukurasa: 9 alidai RNA; 16: PN: US20030198965 Ukurasa: 19 alidai r na; 16: PN: US20040014047 Ukurasa: 19 alidai R NA; 16: PN: US20040014049 Ukurasa:
19 alidai RNA; 17: PN: US20040014051 Ukurasa: 21 walidai R NA; 17: PN: US20040014699 Ukurasa: 19 alidai r na; 17: PN: w
O03106645 Ukurasa: 69 alidai R NA; 18: PN: US20040006029 Ukurasa: 22 walidai R NA; 2'-O-methoxyethyl-5'-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 Ukurasa: 15 alidai r na; 5: PN: WO2005006958 Ukurasa: 61 alidai R NA; 7: PN: WO20050 07825 Ukurasa: 61 alidai R NA; 82: PN: US20040171566 Ukurasa: 18 alidai r na; 89: PN: US20040005707 Ukurasa: 19 alidai r na; 9: PN: WO03084478 Ukurasa: 56 alidai r na
Mali inapatikana |
Kibaolojia |
Kemikali |
Wiani |
Lipinski |
Muundo unaohusiana |
Mafuta |
Kibaolojia
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 1.56 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.99 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 6.19 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 38.0 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 116 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 146 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 150 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 151 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 151 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 151 | pH 10; Temp: 25 ° c | (1) ACD |
.
Kemikali
Mali | Thamani | Hali | Chanzo |
KOC | 13.0 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 16.6 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 51.8 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 318 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 966 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 1220 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 1260 | pH 7; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
KOC | 1260 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 1260 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 1260 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 1.18 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 1.29 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 1.78 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 2.57 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 3.05 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 3.16 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 3.17 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 3.17 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 3.17 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 3.17 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 3.169 ± 0.598 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 5.2 x 10-3 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.51 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.40 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.13 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.020 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 6.8 x 10-3 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.4 x 10-3 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.3 x 10-3 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.2 x 10-3 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.2 x 10-3 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.2 x 10-3 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.3 x 10-3 g/l | Maji yasiyokuwa na maji pH 7.05; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 8.4 x 10-6 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.2 x 10-4 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.4 x 10-4 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.1 x 10-4 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.3 x 10-5 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.1 x 10-5 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 8.7 x 10-6 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.5 x 10-6 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.4 x 10-6 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.4 x 10-6 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.4 x 10-6 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.5 x 10-6 mol/l | Maji yasiyokuwa na maji pH 7.05; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 617.69 | ||
PKA | 13.31 ± 0.70 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
PKA | 4.58 ± 0.10 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
Shinikizo la mvuke | 1.89 x 10-24 Torr | Temp: 25 ° c | (1) ACD |
.
Wiani
Mali | Thamani | Hali | Chanzo |
Wiani | 1.27 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 483.8 ± 7.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 14 | (1) ACD | |
Wapokeaji | 11 | (1) ACD | |
H wafadhili | 3 | (1) ACD | |
H wafadhili/jumla ya jumla | 14 | (1) ACD | |
Logp | 3.169 ± 0.598 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 617.69 |
.
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Eneo la uso wa polar | 134 A2 | (1) ACD |
.
Mafuta
Mali | Thamani | Hali | Chanzo |
Kiwango cha kuchemsha | 762.6 ± 70.0 ° C. | Bonyeza: 760 Torr | (1) ACD |
Enthalpy ya mvuke | 116.53 ± 3.0 kJ/mol | Bonyeza: 760 Torr | (1) ACD |
Kiwango cha Flash | 415.0 ± 35.7 ° C. | (1) ACD |
.
Spectra inapatikana
1H NMR
13C NMR