ChemSpider 2D Image | 3-(3,7-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid | C16H24N4O4

3-(3,7-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid

  • Molecular FormulaC16H24N4O4
  • Average mass336.386 Da
  • Monoisotopic mass336.179749 Da
  • ChemSpider ID21926772

More details:

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

1000932-99-9 [RN]
1H-Purine-8-propanoic acid, 3,7-dibutyl-2,3,6,7-tetrahydro-2,6-dioxo- [ACD/Index Name]
3-(3,7-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid [ACD/IUPAC Name]
3-(3,7-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(3,7-dibutyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)propanoïque [French] [ACD/IUPAC Name]
3-(3,7-dibutyl-2,6-dioxo-1H-purin-8-yl)propanoic acid
MFCD09971433 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 88.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.88
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 251.5±7.0 cm3

Click to predict properties on the Chemicalize site


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