![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI) Sary nasongadina](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 731.79 | - |
| Teboka fandrehitra (andrana) | 119-121 °C | - |
| Density (voavinavina) | 1,31±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
| pKa (voavinavina) | 7.87±0.43 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6 )C(O)C3OCCOC)C=7C=CC=CC7
SMILES Isomerique
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C=3C(N=C2)=C(NC(=O)C4=CC =CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C
=C6)C7=CC=CC=C7
InChI
InChI=1S/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26 -44-34-37(42-25-43-38(34)46)45-39(48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31(50-2)19-15-29)30-16-20-32(51-3)21-17- 30/h4-21,25-26,33,35-36,40,47H,22-24H2,1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
InChI Key
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Anarana hafa ho an'ity akora ity
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)adenosine (ACI); 17: PN: US20030211606 PEJY: laharana 19 voalaza; 18: PN: US20040005569 PEJY: 22 voalaza filaharana; 20: PN: US20040006030 PEJY: 23 voalaza filaharana; 20: PN: US20040014047 PEJY: 21 voalaza filaharana; 20: PN: US20040014049 PEJY: 21 voalaza filaharana; 21: PN: US20040005570 PAG
E: 20 voalaza filaharana; 21: PN: US20040014048 PEJY: 21 voalaza filaharana; 21: PN: US20040014050 PEJY: 20 voalaza filaharana; 22: PN: US20040005565 PEJY: 17- 22 filaharana voalaza; 22: PN: US20040014051 PEJY: 23 voalaza filaharana; 23: PN: US20040 014699 PEJY: 20 voalaza filaharana; 24: PN: US20040006029 PEJY: 23 voalaza filaharana; 24: PN: WO03106645 PEJY: laharana 73 voalaza; 5′-Dimethoxytrityl-2′-O-(2-Methoxyethyl)-N6-benzoyl adenosine; 95: PN: US20040005707 PEJY: filaharana 20 voalaza
| Properties misy |
| mafana |
mafana
| NY FANANANA | sarobidy | toe-javatra | Source |
| Teboka fandoroana | 119-121 °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 | 31700 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.08 x 105 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.43 x 105 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.48 x 105 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.48 x 105 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1,45 x 105 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.19 x 105 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 43000 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 7050 | pH 9; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 2060 | 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 | 37400 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 1.28 x 105 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 1.69 x 105 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 1,74 x 105 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 1,74 x 105 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 1.71 x 105 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 1.40 x 105 | pH 7; Mafana: 25 °C | (1) ACD |
| Koc | 50700 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 8320 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 2430 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | 6.44 | pH 1; Mafana: 25 °C | (1) ACD |
| logD | 6.97 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 7.09 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 7.11 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 7.11 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 7.10 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 7.01 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 6.57 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 5.78 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 5.25 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 7.109±0.766 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 5,6 x 10-6 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,6 x 10-5 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 7,3 x 10-6 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-6 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,6 x 10-6 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,6 x 10-6 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,7 x 10-6 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 7,0 x 10-6 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Mass Solubility | 1,9 x 10-5 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,2 x 10-4 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,0 x 10-4 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 7,0 x 10-6 g/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 7,6 x 10-9 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,6 x 10-8 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,0 x 10-8 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 7,9 x 10-9 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 7,7 x 10-9 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 7,7 x 10-9 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 7,8 x 10-9 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 9,6 x 10-9 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,6 x 10-8 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,6 x 10-7 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 5,5 x 10-7 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 9,5 x 10-9 mol/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 731.79 | ||
| pKa | 7.87±0.43 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | 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 | 1,31±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
| Boky molar | 556,9±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 | |
| H Acceptors | 13 | (1) ACD | |
| H Mpanome | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 15 | (1) ACD | |
| NY FANANANA | sarobidy | toe-javatra | Source |
| logP | 7.109±0.766 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 731.79 |
(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 | 148 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
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