C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)
Izici Zomzimba Eziyinhloko | Inani | Isimo |
Isisindo samangqamuzana | 617.69 | - |
Iphoyinti lokubilisa (elibikezelwe) | 762.6±70.0 °C | Cindezela: 760 Torr |
Ukuminyana (Kubikezelwe) | 1.27±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
pKa (Kubikezelwe) | 13.31±0.70 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
I-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
I-InChI
I-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
Ukhiye we-InchI
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Amanye Amagama Alesi Sitho
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 IKHASI: Abangu-17 bafuna i-RNA; 12: PN: US20030211606 IKHASI: Abangu-18 bafuna i-R NA; 12: PN: US20030212017 IKHASI: Abangu-19 bafuna i-R NA; 14: PN: US20040005569 I-PAG E: 21 ibango i-R NA; 15: PN: US20040005565 IKHASI: 17- 22 bafuna i-RNA; 15: PN: US20040005570 IKHASI: Abangu-19 bafuna i-R NA; 15: PN: U S20040006030 IKHASI: Abangu-22 bafuna i-R NA; 15: PN: US20040014048 IKHASI: Abangu-19 bafuna i-R NA; 16: PN: US20030171313 IKHASI: Abangu-9 bafuna i-RNA; 16: PN: US20030198965 IKHASI: Abangu-19 bafuna i-R NA; 16: PN: US20040014047 IKHASI: Abangu-19 bafuna i-R NA; 16: PN: US20040014049 IKHASI:
I-19 ithi i-RNA; 17: PN: US20040014051 IKHASI: 21 ibango i-R NA; 17: PN: US20040014699 IKHASI: Abangu-19 bafuna i-R NA; 17: PN: W
O03106645 IKHASI: 69 okufunwa u-R NA; 18: PN: US20040006029 IKHASI: Abangu-22 bafuna i-R NA; I-2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 IKHASI: Abangu-15 bafuna i-R NA; 5: PN: WO2005006958 IKHASI: Abangu-61 bafuna i-R NA; 7: PN: WO20050 07825 IKHASI: 61 bafune u-R NA; 82: PN: US20040171566 IKHASI: I-18 ifuna i-R NA; 89: PN: US20040005707 IKHASI: Abangu-19 bafuna i-R NA; 9: PN: WO03084478 IKHASI: 56 ibango i-R NA
Izakhiwo ezitholakalayo |
I-Biological |
Amakhemikhali |
Ukuminyana |
I-Lipinski |
Okuhlobene Nesakhiwo |
Okushisayo |
I-Biological
Impahla | Inani | Isimo | Umthombo |
I-Bioconcentration Factor | 1.56 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.99 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 6.19 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 38.0 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 116 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 146 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 150 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 151 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 151 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 151 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Amakhemikhali
Impahla | Inani | Isimo | Umthombo |
Koc | 13.0 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 16.6 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 51.8 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 318 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 966 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1220 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1260 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
Koc | 1260 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1260 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1260 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logD | 1.18 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
logD | 1.29 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
logD | 1.78 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
logD | 2.57 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
logD | 3.05 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
logD | 3.16 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
logD | 3.17 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
logD | 3.17 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
logD | 3.17 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
logD | 3.17 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logP | 3.169±0.598 | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Intrinsic Solubility | 5.2 x 10-3 g/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.51 g/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.40 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.13 g/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.020 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 6.8 x 10-3 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.4 x 10-3 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.3 x 10-3 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.2 x 10-3 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.2 x 10-3 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.2 x 10-3 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.3 x 10-3 g/L | Amanzi Angahlutshiwe pH 7.05; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 8.4 x 10-6 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 8.2 x 10-4 mol/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 6.4 x 10-4 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 2.1 x 10-4 mol/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 3.3 x 10-5 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.1 x 10-5 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
I-Molar Solubility | 8.7 x 10-6 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 8.5 x 10-6 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 8.4 x 10-6 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 8.4 x 10-6 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 8.4 x 10-6 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 8.5 x 10-6 mol/L | Amanzi Angahlutshiwe pH 7.05; Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 617.69 | ||
pKa | 13.31±0.70 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
pKa | 4.58±0.10 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
I-Vapor Pressure | 1.89 x 10-24 Torr | Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ukuminyana
Impahla | Inani | Isimo | Umthombo |
Ukuminyana | 1.27±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
Ivolumu ye-Molar | 483.8±7.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Lipinski
Impahla | Inani | Isimo | Umthombo |
Amabhondi Ashintshashintshayo Ngokukhululekile | 14 | (1) ACD | |
H Abamukelayo | 11 | (1) ACD | |
H Abanikeli | 3 | (1) ACD | |
H Isamba Somnikeli/Umamukeli | 14 | (1) ACD | |
logP | 3.169±0.598 | Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 617.69 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okuhlobene Nesakhiwo
Impahla | Inani | Isimo | Umthombo |
Indawo ye-Polar Surface | 134 A2 | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okushisayo
Impahla | Inani | Isimo | Umthombo |
Iphuzu elibilayo | 762.6±70.0 °C | Cindezela: 760 Torr | (1) ACD |
I-Enthalpy ye-Vaporization | 116.53±3.0 kJ/mol | Cindezela: 760 Torr | (1) ACD |
I-Flash Point | 415.0±35.7 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR