C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)
IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
Ubunzima beMolekyuli | 617.69 | - |
Indawo yokuBila (Kuqikelelwe) | 762.6±70.0 °C | Cinezela: 760 Torr |
Ukuxinana (Kuqikelelwe) | 1.27±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr |
pKa (Kuxelwe kwangaphambili) | 13.31±0.70 | Eyona Temp iAcidic Temp: 25 °C |
Uncumo lweCanonical 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 Uncumo 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
Isitshixo se-InchI
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Amanye Amagama ale Nxibelelwano
5′-O-[Bis (4-methoxyphenyl) phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 IPHEPHA: I-17 ibango le-RNA; 12: PN: US20030211606 IPHEPHA: I-18 ibango i-R NA; 12: PN: US20030212017 IPHEPHA: I-19 ibango i-R NA; 14: PN: US20040005569 IPHEPHA E: 21 ibango le-R NA; 15: PN: US20040005565 IPHEPHA: 17- 22 ibango le-RNA; 15: PN: US20040005570 IPHEPHA: I-19 ibango i-R NA; 15: PN: U S20040006030 IPHEPHA: 22 ibango i-R NA; 15: PN: US20040014048 IPHEPHA: I-19 ibango i-R NA; 16: PN: US20030171313 IPHEPHA: Abali-9 ababanga iRNA; 16: PN: US20030198965 IPHEPHA: I-19 ibango i-R NA; 16: PN: US20040014047 IPHEPHA: I-19 ibango i-R NA; 16: PN: US20040014049 IPHEPHA:
I-19 ibango i-RNA; 17: PN: US20040014051 IPHEPHA: 21 ibango i-R NA; 17: PN: US20040014699 IPHEPHA: I-19 ibango i-R NA; 17: PN: W
O03106645 IPHEPHA: 69 ibango i-R NA; 18: PN: US20040006029 IPHEPHA: 22 ibango i-R NA; I-2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 IPHEPHA: I-15 ibango i-R NA; 5: PN: WO2005006958 IPHEPHA: 61 ibango i-R NA; 7: PN: WO20050 07825 IPHEPHA: 61 ibango i-R NA; 82: PN: US20040171566 IPHEPHA: I-18 ibango i-R NA; 89: PN: US20040005707 IPHEPHA: I-19 ibango i-R NA; 9: PN: WO03084478 IPHEPHA: 56 ibango i-R NA
Iipropati ezikhoyo |
Ibhayoloji |
Ikhemikhali |
Ukuxinana |
Lipinski |
Ulwakhiwo oluNxulumeneyo |
Thermal |
Ibhayoloji
Ipropati | Ixabiso | Imeko | Umthombo |
I-Bioconcentration Factor | 1.56 | pH 1; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.99 | pH 2; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 6.19 | pH 3; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 38.0 | pH 4; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 116 | pH 5; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 146 | pH 6; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 150 | pH 7; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 151 | pH 8; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 151 | pH 9; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 151 | pH 10; Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ikhemikhali
Ipropati | Ixabiso | Imeko | Umthombo |
Koc | 13.0 | pH 1; Ubushushu: 25 °C | (1) ACD |
Koc | 16.6 | pH 2; Ubushushu: 25 °C | (1) ACD |
Koc | 51.8 | pH 3; Ubushushu: 25 °C | (1) ACD |
Koc | 318 | pH 4; Ubushushu: 25 °C | (1) ACD |
Koc | 966 | pH 5; Ubushushu: 25 °C | (1) ACD |
Koc | 1220 | pH 6; Ubushushu: 25 °C | (1) ACD |
Koc | 1260 | pH 7; Ubushushu: 25 °C | (1) ACD |
Ipropati | Ixabiso | Imeko | Umthombo |
Koc | 1260 | pH 8; Ubushushu: 25 °C | (1) ACD |
Koc | 1260 | pH 9; Ubushushu: 25 °C | (1) ACD |
Koc | 1260 | pH 10; Ubushushu: 25 °C | (1) ACD |
logD | 1.18 | pH 1; Ubushushu: 25 °C | (1) ACD |
logD | 1.29 | pH 2; Ubushushu: 25 °C | (1) ACD |
logD | 1.78 | pH 3; Ubushushu: 25 °C | (1) ACD |
logD | 2.57 | pH 4; Ubushushu: 25 °C | (1) ACD |
logD | 3.05 | pH 5; Ubushushu: 25 °C | (1) ACD |
logD | 3.16 | pH 6; Ubushushu: 25 °C | (1) ACD |
logD | 3.17 | pH 7; Ubushushu: 25 °C | (1) ACD |
logD | 3.17 | pH 8; Ubushushu: 25 °C | (1) ACD |
logD | 3.17 | pH 9; Ubushushu: 25 °C | (1) ACD |
logD | 3.17 | pH 10; Ubushushu: 25 °C | (1) ACD |
logP | 3.169±0.598 | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMass Intrinsic | 5.2 x 10-3 g/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 0.51 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 0.40 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 0.13 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 0.020 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 6.8 x 10-3 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 5.4 x 10-3 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 5.3 x 10-3 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 5.2 x 10-3 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 5.2 x 10-3 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 5.2 x 10-3 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 5.3 x 10-3 g/L | Amanzi angaphazanyiswanga pH 7.05; Ubushushu: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 8.4 x 10-6 mol/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 8.2 x 10-4 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 6.4 x 10-4 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 2.1 x 10-4 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 3.3 x 10-5 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.1 x 10-5 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ipropati | Ixabiso | Imeko | Umthombo |
Ukunyibilika kweMolar | 8.7 x 10-6 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 8.5 x 10-6 mol / L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 8.4 x 10-6 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 8.4 x 10-6 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 8.4 x 10-6 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 8.5 x 10-6 mol / L | Amanzi angaphazanyiswanga pH 7.05; Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 617.69 | ||
pKa | 13.31±0.70 | Eyona Temp iAcidic Temp: 25 °C | (1) ACD |
pKa | 4.58±0.10 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
Uxinzelelo lomphunga | 1.89 x 10-24 Torr | Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ukuxinana
Ipropati | Ixabiso | Imeko | Umthombo |
Ukuxinana | 1.27±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
Umthamo weMolar | 483.8±7.0 cm3/mol | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Ipropati | Ixabiso | Imeko | Umthombo |
Iibhondi eziGuquguqukayo ngokukhululekileyo | 14 | (1) ACD | |
H Abamkeli | 11 | (1) ACD | |
H Abaxhasi | 3 | (1) ACD | |
H Umnikeli/uMamkeli Isambuku | 14 | (1) ACD | |
logP | 3.169±0.598 | Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 617.69 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo oluNxulumeneyo
Ipropati | Ixabiso | Imeko | Umthombo |
Indawo yePolar Surface | 134 A2 | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Thermal
Ipropati | Ixabiso | Imeko | Umthombo |
Indawo yokubilisa | 762.6±70.0 °C | Cinezela: 760 Torr | (1) ACD |
I-Enthalpy yoMphunga | 116.53±3.0 kJ/mol | Cinezela: 760 Torr | (1) ACD |
Indawo yokuflasha | 415.0±35.7 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
13C NMR