C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)
Zofunika Zathupi | Mtengo | Mkhalidwe |
Kulemera kwa Maselo | 617.69 | - |
Boiling Point (Zonenedweratu) | 762.6±70.0 °C | Press: 760 Torr |
Kachulukidwe (Zonenedweratu) | 1.27±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
pKa (Zonenedweratu) | 13.31±0.70 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira 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
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
InChi Key
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Maina ena a chinthu ichi
5'-O--[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 TSAMBA: 17 amati RNA; 12: PN: US20030211606 TSAMBA: 18 amati R NA; 12: PN: US20030212017 TSAMBA: 19 amati R NA; 14: PN: US20040005569 PAG E: 21 amati R NA; 15: PN: US20040005565 TSAMBA: 17- 22 amati RNA; 15: PN: US20040005570 TSAMBA: 19 amati R NA; 15: PN: U S20040006030 TSAMBA: 22 amati R NA; 15: PN: US20040014048 TSAMBA: 19 amati R NA; 16: PN: US20030171313 TSAMBA: 9 amati RNA; 16: PN: US20030198965 TSAMBA: 19 amati R NA; 16: PN: US20040014047 TSAMBA: 19 amati R NA; 16: PN: US20040014049 TSAMBA:
19 ankati RNA; 17: PN: US20040014051 TSAMBA: 21 amati R NA; 17: PN: US20040014699 TSAMBA: 19 amati R NA; 17: PN
O03106645 TSAMBA: 69 amati R NA; 18: PN: US20040006029 TSAMBA: 22 amati R NA; 2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 TSAMBA: 15 amati R NA; 5: PN: WO2005006958 TSAMBA: 61 amati R NA; 7: PN: WO20050 07825 TSAMBA: 61 amati R NA; 82: PN: US20040171566 TSAMBA: 18 amati R NA; 89: PN: US20040005707 TSAMBA: 19 amati R NA; 9: PN: WO03084478 TSAMBA: 56 amati R NA
Katundu zilipo |
Zachilengedwe |
Chemical |
Kuchulukana |
Lipinski |
Zogwirizana ndi Kapangidwe |
Kutentha |
Zachilengedwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Bioconcentration Factor | 1.56 | pH 1; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 1.99 | pH 2; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 6.19 | pH 3; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 38.0 | pH 4; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 116 | pH 5; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 146 | pH 6; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 150 | pH 7; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 151 | pH 8; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 151 | pH 9; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 151 | pH 10; Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 13.0 | pH 1; Kutentha: 25 ° C | (1) ACD |
Koc | 16.6 | pH 2; Kutentha: 25 ° C | (1) ACD |
Koc | 51.8 | pH 3; Kutentha: 25 ° C | (1) ACD |
Koc | 318 | pH 4; Kutentha: 25 ° C | (1) ACD |
Koc | 966 | pH 5; Kutentha: 25 ° C | (1) ACD |
Koc | 1220 | pH 6; Kutentha: 25 ° C | (1) ACD |
Koc | 1260 | pH 7; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 1260 | pH 8; Kutentha: 25 ° C | (1) ACD |
Koc | 1260 | pH 9; Kutentha: 25 ° C | (1) ACD |
Koc | 1260 | pH 10; Kutentha: 25 ° C | (1) ACD |
logD | 1.18 | pH 1; Kutentha: 25 ° C | (1) ACD |
logD | 1.29 | pH 2; Kutentha: 25 ° C | (1) ACD |
logD | 1.78 | pH 3; Kutentha: 25 ° C | (1) ACD |
logD | 2.57 | pH 4; Kutentha: 25 ° C | (1) ACD |
logD | 3.05 | pH 5; Kutentha: 25 ° C | (1) ACD |
logD | 3.16 | pH 6; Kutentha: 25 ° C | (1) ACD |
logD | 3.17 | pH 7; Kutentha: 25 ° C | (1) ACD |
logD | 3.17 | pH 8; Kutentha: 25 ° C | (1) ACD |
logD | 3.17 | pH 9; Kutentha: 25 ° C | (1) ACD |
logD | 3.17 | pH 10; Kutentha: 25 ° C | (1) ACD |
logP | 3.169±0.598 | Kutentha: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 5.2 x 10-3 g/L | Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 0.51g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 0.40g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 0.13g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 0.020 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 6.8 x 10-3 g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.4 x 10-3 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.3 x 10-3 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.2 x 10-3 g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.2 x 10-3 g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.2 x 10-3 g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.3 x 10-3 g/L | Madzi Osasunthika pH 7.05; Kutentha: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 8.4 x 10-6 mol / L | Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 8.2 x 10-4 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 6.4 x 10-4 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 2.1 x 10-4 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 3.3 x 10-5 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-5 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Molar Solubility | 8.7 x 10-6 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 8.5 x 10-6 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 8.4 x 10-6 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 8.4 x 10-6 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 8.4 x 10-6 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 8.5 x 10-6 mol / L | Madzi Osasunthika pH 7.05; Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 617.69 | ||
pKa | 13.31±0.70 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
pKa | 4.58±0.10 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD |
Kuthamanga kwa Nthunzi | 1.89 x 10-24 torr | Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kuchulukana
Katundu | Mtengo | Mkhalidwe | Gwero |
Kuchulukana | 1.27±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volume | 483.8±7.0cm3/mol | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Katundu | Mtengo | Mkhalidwe | Gwero |
Ma Bond Osinthasintha Mwaulere | 14 | (1) ACD | |
H Olandira | 11 | (1) ACD | |
H Opereka | 3 | (1) ACD | |
H Chiwerengero cha Wopereka / Wolandira | 14 | (1) ACD | |
logP | 3.169±0.598 | Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 617.69 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Zogwirizana ndi Kapangidwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Malo a Polar Surface | 134 a2 | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kutentha
Katundu | Mtengo | Mkhalidwe | Gwero |
Boiling Point | 762.6±70.0 °C | Press: 760 Torr | (1) ACD |
Enthalpy ya vaporization | 116.53±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
Pophulikira | 415.0±35.7 °C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13C NMR