C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)
Sifa Muhimu za Kimwili | Thamani | Hali |
Uzito wa Masi | 617.69 | - |
Kiwango cha Kuchemka (Iliyotabiriwa) | 762.6±70.0 °C | Bonyeza: 760 Torr |
Msongamano (Uliotabiriwa) | 1.27±0.1 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr |
pKa (Iliyotabiriwa) | 13.31±0.70 | Halijoto ya Asidi Zaidi: 25 °C |
TABASAMU za Kikanuni 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=C4)C5=CC=CC=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(23-8-6-5-7-9-23,24-10-14-26(4 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-, 32-/m1/s1
Ufunguo wa InChi
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Majina Mengine ya Dawa hii
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 UKURASA: 17 walidai RNA; 12: PN: US20030211606 UKURASA: 18 alidai R NA; 12: PN: US20030212017 UKURASA: 19 alidai R NA; 14: PN: US20040005569 UKURASA E: 21 inadaiwa R NA; 15: PN: US20040005565 UKURASA: 17- 22 alidai RNA; 15: PN: US20040005570 UKURASA: 19 alidai R NA; 15: PN: U S20040006030 UKURASA: 22 alidai R NA; 15: PN: US20040014048 UKURASA: 19 alidai R NA; 16: PN: US20030171313 UKURASA: 9 walidai RNA; 16: PN: US20030198965 UKURASA: 19 alidai R NA; 16: PN: US20040014047 UKURASA: 19 alidai R NA; 16: PN: US20040014049 UKURASA:
19 ilidai RNA; 17: PN: US20040014051 UKURASA: 21 alidai R NA; 17: PN: US20040014699 UKURASA: 19 alidai R NA; 17: PN: W
O03106645 UKURASA: 69 alidai R NA; 18: PN: US20040006029 UKURASA: 22 alidai 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 walidai R NA; 89: PN: US20040005707 UKURASA: 19 walidai R NA; 9: PN: WO03084478 UKURASA: 56 alidai R NA
Mali zinazopatikana |
Kibiolojia |
Kemikali |
Msongamano |
Lipinski |
Kuhusiana na Muundo |
Joto |
Kibiolojia
Mali | Thamani | Hali | Chanzo |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.56 | pH 1; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.99 | pH 2; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 6.19 | pH 3; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 38.0 | pH 4; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 116 | pH 5; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 146 | pH 6; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 150 | pH 7; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 151 | pH 8; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 151 | pH 9; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 151 | pH 10; Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kemikali
Mali | Thamani | Hali | Chanzo |
Koc | 13.0 | pH 1; Joto: 25 °C | (1) ACD |
Koc | 16.6 | pH 2; Joto: 25 °C | (1) ACD |
Koc | 51.8 | pH 3; Joto: 25 °C | (1) ACD |
Koc | 318 | pH 4; Joto: 25 °C | (1) ACD |
Koc | 966 | pH 5; Joto: 25 °C | (1) ACD |
Koc | 1220 | pH 6; Joto: 25 °C | (1) ACD |
Koc | 1260 | pH 7; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Koc | 1260 | pH 8; Joto: 25 °C | (1) ACD |
Koc | 1260 | pH 9; Joto: 25 °C | (1) ACD |
Koc | 1260 | pH 10; Joto: 25 °C | (1) ACD |
logD | 1.18 | pH 1; Joto: 25 °C | (1) ACD |
logD | 1.29 | pH 2; Joto: 25 °C | (1) ACD |
logD | 1.78 | pH 3; Joto: 25 °C | (1) ACD |
logD | 2.57 | pH 4; Joto: 25 °C | (1) ACD |
logD | 3.05 | pH 5; Joto: 25 °C | (1) ACD |
logD | 3.16 | pH 6; Joto: 25 °C | (1) ACD |
logD | 3.17 | pH 7; Joto: 25 °C | (1) ACD |
logD | 3.17 | pH 8; Joto: 25 °C | (1) ACD |
logD | 3.17 | pH 9; Joto: 25 °C | (1) ACD |
logD | 3.17 | pH 10; Joto: 25 °C | (1) ACD |
logP | 3.169±0.598 | Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Misa | 5.2 x 10-3 g/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 0.51 g/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 0.40 g/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 0.13 g/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 0.020 g/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 6.8 x 10-3 g/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.4 x 10-3 g/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.3 x 10-3 g/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.2 x 10-3 g/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.2 x 10-3 g/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.2 x 10-3 g/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.3 x 10-3 g/L | Maji yasio na buffered pH 7.05; Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Molar | 8.4 x 10-6 mol/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 8.2 x 10-4 mol/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 6.4 x 10-4 mol/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 2.1 x 10-4 mol/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 3.3 x 10-5 mol/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.1 x 10-5 mol/L | pH 5; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa Molar | 8.7 x 10-6 mol/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 8.5 x 10-6 mol/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 8.4 x 10-6 mol/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 8.4 x 10-6 mol/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 8.4 x 10-6 mol/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 8.5 x 10-6 mol/L | Maji yasio na buffered pH 7.05; Joto: 25 °C | (1) ACD |
Uzito wa Masi | 617.69 | ||
pKa | 13.31±0.70 | Halijoto ya Asidi Zaidi: 25 °C | (1) ACD |
pKa | 4.58±0.10 | Joto la Msingi Zaidi: 25 °C | (1) ACD |
Shinikizo la Mvuke | 1.89 x 10-24 Torr | Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Msongamano
Mali | Thamani | Hali | Chanzo |
Msongamano | 1.27±0.1 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha Molar | 483.8±7.0 cm3/mol | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vinavyoweza kuzungushwa kwa Uhuru | 14 | (1) ACD | |
H Wapokeaji | 11 | (1) ACD | |
H Wafadhili | 3 | (1) ACD | |
H Jumla ya Mfadhili/Mpokeaji | 14 | (1) ACD | |
logP | 3.169±0.598 | Joto: 25 °C | (1) ACD |
Uzito wa Masi | 617.69 |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kuhusiana na Muundo
Mali | Thamani | Hali | Chanzo |
Eneo la Uso wa Polar | 134 A2 | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Joto
Mali | Thamani | Hali | Chanzo |
Kiwango cha kuchemsha | 762.6±70.0 °C | Bonyeza: 760 Torr | (1) ACD |
Enthalpy ya vaporization | 116.53±3.0 kJ/mol | Bonyeza: 760 Torr | (1) ACD |
Kiwango cha Kiwango | 415.0±35.7 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Spectra inapatikana
1H NMR
13C NMR