C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 371.35 | - |
| Teboka fandrehitra (andrana) | 152 °C | - |
| Density (voavinavina) | 1,70±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(CO)C(O)C3O)C=4C=CC=CC4
SMILES Isomerik O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)O[C@H]( CO)[C@H]1O
InChI
InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-1 4(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17, 23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m1/s1
InChI Key
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Anarana hafa ho an'ity akora ity
Benzamide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)- (8CI); N-Benzoyladenosine (ACI); N6-benzoyladenosine
| Properties misy |
| mafana |
mafana
| NY FANANANA | sarobidy | toe-javatra | Source |
| Teboka fandoroana | 152 °C | (1) IC | |
(1) Gopalakrishnan, Vidhya; Proceedings - Akademia Indiana momba ny Siansa, Siansa simika, (1989), 101(5), 401-13, CAplus
Spectra misy
1H NMR
13C NMR
Hetero NMR
IR
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 1.0 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.83 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.56 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.67 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.68 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.65 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.37 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.16 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | 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 | 12.6 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 48.2 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 67.3 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 70.1 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 70.3 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 69.5 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 62.2 | pH 7; Mafana: 25 °C | (1) ACD |
| Koc | 30.5 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 5.54 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 1.22 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | 0.12 | pH 1; Mafana: 25 °C | (1) ACD |
| logD | 0.70 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 0.85 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 0.86 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 0.87 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 0.86 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 0.81 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 0.50 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | -0.24 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | -0.89 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 0,868±0,577 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 0,037 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,22 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,056 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,041 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,041 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,037 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,041 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,045 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,089 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,48 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,2 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Mass Solubility | 0,041 g/L | Rano tsy voatazona pH 5.93; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 1,0 x 10-4 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 5,8 x 10-4 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,5 x 10-4 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-4 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-4 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,0 x 10-4 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-4 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,2 x 10-4 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,4 x 10-4 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,3 x 10-3 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,0 x 10-3 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,1 x 10-4 mol/L | Rano tsy voatazona pH 5.93; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 371.35 | ||
| 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 | 1,70±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
| Boky molar | 217.3±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 | 6 | (1) ACD | |
| H Acceptors | 10 | (1) ACD | |
| H Mpanome | 4 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| logP | 0,868±0,577 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 371.35 |
(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 | 143 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 |
| H333 | Mety hanimba raha voafoka | Expert Curated |
| H303 | Mety hanimba raha atelina | Expert Curated |
| H302 | Manimba raha atelina | Fanasokajiana sy fametahana marika - Fanasokajiana sy fametahana fampandrenesana - Fampandrenesana mahazatra indrindra, Fanasokajiana sy fametahana marika - Fampandrenesana lehibe indrindra. |
Lisitra mifehy: REACH, TCSI
Fampahafantarana momba ny raharaham-barotra tsiambaratelo: Ampahibemaso
| Regulatory Synonyms | ||
| Adenosine, N-benzoyl- | REACH, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | hanatratra | - |
| N6-benzoyladenosine | hanatratra | - |
Ny antsipirihan'ny firenena/Iraisam-pirenena & Lisitry ny Firenena/Faritra hafa misy
Famintinana ny Vondrona Eoropeana
Satan'ny fitahirizana ao amin'ny lisitry ny REACH amin'ireo akora voasoratra anarana
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Laharan'ny lisitry ny EC No.: 610-251-3
Taiwan Summary
Satan'ny fitahirizana ao amin'ny TCSI Taiwan Government Ga
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