ChemSpider 2D Image | 5-Fluoro-2-nitrophenyl 3-(3-butyl-7-isobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoate | C22H26FN5O6

5-Fluoro-2-nitrophenyl 3-(3-butyl-7-isobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoate

  • Molecular FormulaC22H26FN5O6
  • Average mass475.470 Da
  • Monoisotopic mass475.186707 Da
  • ChemSpider ID32883940

More details:

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

1H-Purine-8-propanoic acid, 3-butyl-2,3,6,7-tetrahydro-7-(2-methylpropyl)-2,6-dioxo-, 5-fluoro-2-nitrophenyl ester [ACD/Index Name]
3-(3-Butyl-7-isobutyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)propanoate de 5-fluoro-2-nitrophényle [French] [ACD/IUPAC Name]
5-Fluor-2-nitrophenyl-3-(3-butyl-7-isobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoat [German] [ACD/IUPAC Name]
5-Fluoro-2-nitrophenyl 3-(3-butyl-7-isobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoate [ACD/IUPAC 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: 1.628
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 302.93
ACD/KOC (pH 5.5): 2078.44
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 301.80
ACD/KOC (pH 7.4): 2070.74
Polar Surface Area: 139 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 335.8±7.0 cm3

Click to predict properties on the Chemicalize site


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