![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315 Sary nasongadina](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 721.80 | - |
| Teboka fandrehitra (andrana) | 107-110 °C | - |
| Density (voavinavina) | 1,26±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
| pKa (voavinavina) | 8,60±0,40 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6 =CC=C(OC)C=C6)C(O)C3OCCOC)C
SMILES Isomerika
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC =C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11 -7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18- 31/h5-22,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
InChI Key
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Anarana hafa ho an'ity akora ity
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 10: PN: WO03084478 PEJY: 57 milaza fa RNA; 12: PN: US20030170636 PEJY: 17 nilaza R NA; 13: PN: US20030212017 PEJY: 19 nilaza R NA; 14: PN: US20030
211606 PEJY: 19 milaza R NA; 15: PN: US20040005569 PEJY: 22 nilaza R NA; 16: PN: US20040006030 PEJY: 22 milaza R NA; 16: PN: US20040014048 PEJY: 20 milaza R NA; 17: PN: US20030171313 PEJY: 9 milaza R NA; 17: PN: US20040005565 PEJY: 17- 22 milaza fa ARN; 17: PN: US20040005570 PEJY: 20 milaza R NA; 17: PN: US20040014047 PEJY: 20 milaza R NA; 17: PN: US20040 014050 PEJY: 20 milaza R NA; 18: PN: US20030198965 PEJY: 19 milaza R NA; 18: PN: US20040014699 PEJY: 20 milaza R NA; 19: PN: US20040006029 PEJY: 23 milaza R NA; 19: PN: WO03106645 PEJY: 71 milaza R NA; 59: PN: US20030166592 PEJY: 15 milaza fa RNA; 6: PN: WO2005006958 PEJY: 62 nilaza R NA; 83: PN: US20040171566 PEJY: 18 milaza R NA; 8: PN: WO2005007825
PEJY: 62 nilaza R NA; 90: PN: US20040005707 PEJY: 20 milaza R NA; N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-
methylcytidine
| Properties misy |
| mafana |
mafana
| NY FANANANA | sarobidy | toe-javatra | Source |
| Teboka fandoroana | 107-110 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acid, (2018), 37(4), 232-247, CAplus
Spectra misy
1H NMR
13C NMR
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 291 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 644 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 3690 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 15600 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 23700 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 24800 | pH 6; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 23300 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 14100 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 3010 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 558 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
simika
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 569 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 1260 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 7210 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 30400 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 46300 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 48500 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 45500 | pH 7; Mafana: 25 °C | (1) ACD |
| Koc | 27500 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 5890 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 1090 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | 4.16 | pH 1; Mafana: 25 °C | (1) ACD |
| logD | 4.50 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 5.26 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 5.88 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 6.07 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 6.09 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 6.06 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 5.84 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 5.17 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 4.44 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 6,093±0,720 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 1,3 x 10-4 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,011 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,0 x 10-3 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 8,7 x 10-4 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,1 x 10-4 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Mass Solubility | 1,4 x 10-4 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,3 x 10-4 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,4 x 10-4 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,3 x 10-4 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,1 x 10-3 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-3 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,4 x 10-4 g/L | Rano tsy voaaro pH 6.97; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 1,8 x 10-7 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,5 x 10-5 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,9 x 10-6 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,2 x 10-6 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,9 x 10-7 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,9 x 10-7 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,8 x 10-7 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,9 x 10-7 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,2 x 10-7 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,5 x 10-6 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 8,0 x 10-6 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,9 x 10-7 mol/L | Rano tsy voaaro pH 6.97; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 721.80 | ||
| pKa | 8,60±0,40 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
hakitroky
| NY FANANANA | sarobidy | toe-javatra | Source |
| hakitroky | 1,26±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
| Boky molar | 572.5±7.0 cm3/mol | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana azo ahodina malalaka | 15 | (1) ACD | |
| NY FANANANA | sarobidy | toe-javatra | Source |
| H Acceptors | 12 | (1) ACD | |
| H Mpanome | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| logP | 6,093±0,720 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 721.80 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Structure Related
| NY FANANANA | sarobidy | toe-javatra | Source |
| Faritra ambonin'ny polar | 137 A2 | (1) ACD | |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1H NMR
13C NMR
| fehezan-dalàna | Fanambarana loza | Source |
| H335 | Mety hiteraka fahasosorana taovam-pisefoana | Fanasokajiana sy fametahana marika - Fanasokajiana sy fametahana fampandrenesana - Fampandrenesana mahazatra indrindra, Fanasokajiana sy fametahana marika - Fampandrenesana lehibe indrindra. |
| H319 | Miteraka fahasorenana mafy ny maso | Fanasokajiana sy fametahana marika - Fanasokajiana sy fametahana fampandrenesana - Fampandrenesana mahazatra indrindra, Fanasokajiana sy fametahana marika - Fampandrenesana lehibe indrindra. |
| H315 | Mahatonga fahasosorana amin'ny hoditra | Fanasokajiana sy fametahana marika - Fanasokajiana sy fametahana fampandrenesana - Fampandrenesana mahazatra indrindra, Fanasokajiana sy fametahana marika - Fampandrenesana lehibe indrindra. |
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