ChemSpider 2D Image | (3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 3-[(3aR,7aS)-1,3-dioxooctahydro-2H-isoindol-2-yl]propanoate | C24H33N5O6

(3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 3-[(3aR,7aS)-1,3-dioxooctahydro-2H-isoindol-2-yl]propanoate

  • Molecular FormulaC24H33N5O6
  • Average mass487.549 Da
  • Monoisotopic mass487.243073 Da
  • ChemSpider ID62692531

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 3-[(3aR,7aS)-1,3-dioxooctahydro-2H-isoindol-2-yl]propanoate [ACD/IUPAC Name]
(3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl-3-[(3aR,7aS)-1,3-dioxooctahydro-2H-isoindol-2-yl]propanoat [German] [ACD/IUPAC Name]
2H-Isoindole-2-propanoic acid, octahydro-1,3-dioxo-, (3-butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl ester, (3aR,7aS)- [ACD/Index Name]
3-[(3aR,7aS)-1,3-Dioxooctahydro-2H-isoindol-2-yl]propanoate de (3-butyl-2,6-dioxo-7-propyl-2,3,6,7-tétrahydro-1H-purin-8-yl)méthyle [French] [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: 1.671
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.21
ACD/KOC (pH 5.5): 277.77
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.10
ACD/KOC (pH 7.4): 276.14
Polar Surface Area: 131 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 337.4±7.0 cm3

Click to predict properties on the Chemicalize site


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