ChemSpider 2D Image | 5'-Deoxy-5'-{[(1-pentyl-1H-benzimidazol-5-yl)carbonyl]amino}-N-(4-phenoxybenzyl)adenosine | C36H38N8O5

5'-Deoxy-5'-{[(1-pentyl-1H-benzimidazol-5-yl)carbonyl]amino}-N-(4-phenoxybenzyl)adenosine

  • Molecular FormulaC36H38N8O5
  • Average mass662.737 Da
  • Monoisotopic mass662.296509 Da
  • ChemSpider ID24710100

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5'-Deoxy-5'-{[(1-pentyl-1H-benzimidazol-5-yl)carbonyl]amino}-N-(4-phenoxybenzyl)adenosine [ACD/IUPAC Name]
5'-Desoxy-5'-{[(1-pentyl-1H-benzimidazol-5-yl)carbonyl]amino}-N-(4-phenoxybenzyl)adenosin [German] [ACD/IUPAC Name]
5'-Désoxy-5'-{[(1-pentyl-1H-benzimidazol-5-yl)carbonyl]amino}-N-(4-phénoxybenzyl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-deoxy-5'-[[(1-pentyl-1H-benzimidazol-5-yl)carbonyl]amino]-N-[(4-phenoxyphenyl)methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 182.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2577.87
ACD/KOC (pH 5.5): 9299.04
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2898.40
ACD/KOC (pH 7.4): 10455.28
Polar Surface Area: 161 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 464.8±7.0 cm3

Click to predict properties on the Chemicalize site


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