![C34H39N3O8 Cytidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Cytidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI) Featured duab](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Cytidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 617.69 ib | - |
| Boiling Point (Predicted) | 762.6 ± 70.0 ° C | Xov: 760 Torr |
| Ceev (Predicted) | 1.27 ± 0.1g / cm3 | Kub: 20 ° C; Xov: 760 Torr |
| pKa (Predicted) | 13.31 ± 0.70 Nws | Feem ntau acidic kub: 25 ° C |
Canonical SMILES 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)(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 Lwm Lub Npe rau Cov Khoom no
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 PAGE: 17 thov RNA; 12: PN: US20030211606 PAGE: 18 thov R NA; 12: PN: US20030212017 PAGE: 19 thov R NA; 14: PN: US20040005569 PAG E: 21 claimed R NA; 15: PN: US20040005565 PAGE: 17- 22 thov RNA; 15: PN: US20040005570 PAGE: 19 thov R NA; 15: PN: U S20040006030 PAGE: 22 thov R NA; 15: PN: US20040014048 PAGE: 19 thov R NA; 16: PN: US20030171313 PAGE: 9 thov RNA; 16: PN: US20030198965 PAGE: 19 thov R NA; 16: PN: US20040014047 PAGE: 19 thov R NA; 16: PIB: US20040014049 PAGE:
19 thov RNA; 17: PN: US20040014051 PAGE: 21 thov R NA; 17: PN: US20040014699 PAGE: 19 thov R NA; 17: NP: W
O03106645 PAGE: 69 thov R NA; 18: PN: US20040006029 PAGE: 22 thov R NA; 2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5-methylcytidine; 58: PN: US20030166592 PAGE: 15 thov R NA; 5: PN: WO2005006958 PAGE: 61 thov R NA; 7: PN: WO20050 07825 PAGE: 61 thov R NA; 82: PN: US20040171566 PAGE: 18 thov R NA; 89: PN: US20040005707 PAGE: 19 thov R NA; 9: PN: WO03084478 PAGE: 56 thov R NA
| Cov khoom muaj |
| Tshuaj lom neeg |
| Tshuaj |
| Qhov ntom |
| Lipinski |
| Cov qauv ntsig txog |
| Kub |
Tshuaj lom neeg
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Bioconcentration Factor | 1.56 ib | pH 1; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.99 ib | pH 2; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 6.19 ib | pH 3; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 38.0 Nws | pH 4; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 116 | pH 5; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 146 | pH 6; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 150 | pH 7; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 151 | pH 8; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 151 | pH 9; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 151 | pH 10; Kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tshuaj
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 13.0 Nws | pH 1; Kub: 25 ° C | (1) ACD |
| Koc | 16.6 | pH 2; Kub: 25 ° C | (1) ACD |
| Koc | 51.8 ib | pH 3; Kub: 25 ° C | (1) ACD |
| Koc | 318 | pH 4; Kub: 25 ° C | (1) ACD |
| Koc | ib 966 | pH 5; Kub: 25 ° C | (1) ACD |
| Koc | 1220 | pH 6; Kub: 25 ° C | (1) ACD |
| Koc | 1260 | pH 7; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 1260 | pH 8; Kub: 25 ° C | (1) ACD |
| Koc | 1260 | pH 9; Kub: 25 ° C | (1) ACD |
| Koc | 1260 | pH 10; Kub: 25 ° C | (1) ACD |
| logD | 1.18 | pH 1; Kub: 25 ° C | (1) ACD |
| logD | 1.29 ib | pH 2; Kub: 25 ° C | (1) ACD |
| logD | 1.78 ib | pH 3; Kub: 25 ° C | (1) ACD |
| logD | 2.57 ib | pH 4; Kub: 25 ° C | (1) ACD |
| logD | 3.05 Nws | pH 5; Kub: 25 ° C | (1) ACD |
| logD | 3.16 | pH 6; Kub: 25 ° C | (1) ACD |
| logD | 3.17 | pH 7; Kub: 25 ° C | (1) ACD |
| logD | 3.17 | pH 8; Kub: 25 ° C | (1) ACD |
| logD | 3.17 | pH 9; Kub: 25 ° C | (1) ACD |
| logD | 3.17 | pH 10; Kub: 25 ° C | (1) ACD |
| logP | 3.169 ± 0.598 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 5.2 x 10-3 g / L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.51 g / L | pH 1; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.40 g / L | pH 2; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.13 g / L | pH 3; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.020 g / L | pH 4; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 6.8 x 10-3 g / L | pH 5; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.4 x 10-3 g / L | pH 6; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.3 x 10-3 g / L | pH 7; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.2 x 10-3 g / L | pH 8; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.2 x 10-3 g / L | pH 9; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.2 x 10-3 g / L | pH 10; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.3 x 10-3 g / L | Unbuffered Dej pH 7.05; Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 8.4 x 10-6 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 8.2 x 10-4 mol / L | pH 1; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 6.4 x 10-4 mol / L | pH 2; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.1 x 10-4 mol / L | pH 3; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.3 x 10-5 mol / L | pH 4; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-5 mol / L | pH 5; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Molar Solubility | 8.7 x 10-6 mol / L | pH 6; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 8.5 x 10-6 mol / L | pH 7; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 8.4 x 10-6 mol / L | pH 8; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 8.4 x 10-6 mol / L | pH 9; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 8.4 x 10-6 mol / L | pH 10; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 8.5 x 10-6 mol / L | Unbuffered Dej pH 7.05; Kub: 25 ° C | (1) ACD |
| Molecular Luj | 617.69 ib | ||
| pKa | 13.31 ± 0.70 Nws | Feem ntau acidic kub: 25 ° C | (1) ACD |
| pKa | 4.58 ± 0.10 | Qhov kub thiab txias tshaj plaws: 25 ° C | (1) ACD |
| Vapor Siab | 1.89 x 10-24 Torr | Kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qhov ntom
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Qhov ntom | 1.27 ± 0.1g / cm3 | Kub: 20 ° C; Xov: 760 Torr | (1) ACD |
| Molar Volume | 483.8 ± 7.0 cm3/mol | Kub: 20 ° C; Xov: 760 Torr | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Dawb Rotatable Bonds | 14 | (1) ACD | |
| H Txais | 11 | (1) ACD | |
| H Pub | 3 | (1) ACD | |
| H Pub/Acceptor Sum | 14 | (1) ACD | |
| logP | 3.169 ± 0.598 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 617.69 ib |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cov qauv ntsig txog
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Polar Surface Area | 134 A 2 | (1) ACD | |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kub
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Boiling Point | 762.6 ± 70.0 ° C | Xov: 760 Torr | (1) ACD |
| Enthalpy ntawm Vaporization | 116.53 ± 3.0 kJ/mol | Xov: 760 Torr | (1) ACD |
| Flash Point | 415.0 ± 35.7 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra muaj
1 H NMR
13 C NMR
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