ChemSpider 2D Image | (3aS,4S,6R,6aR)-6-(6-{[1-(1-Cyclopentyl-1H-indol-3-yl)-2-propanyl]amino}-9H-purin-9-yl)-N-cyclopropyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide | C32H39N7O4

(3aS,4S,6R,6aR)-6-(6-{[1-(1-Cyclopentyl-1H-indol-3-yl)-2-propanyl]amino}-9H-purin-9-yl)-N-cyclopropyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID9932745

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3aS,4S,6R,6aR)-6-(6-{[1-(1-Cyclopentyl-1H-indol-3-yl)-2-propanyl]amino}-9H-purin-9-yl)-N-cyclopropyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-carboxamid [German] [ACD/IUPAC Name]
(3aS,4S,6R,6aR)-6-(6-{[1-(1-Cyclopentyl-1H-indol-3-yl)-2-propanyl]amino}-9H-purin-9-yl)-N-cyclopropyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide [ACD/IUPAC Name]
(3aS,4S,6R,6aR)-6-(6-{[1-(1-Cyclopentyl-1H-indol-3-yl)-2-propanyl]amino}-9H-purin-9-yl)-N-cyclopropyl-2,2-diméthyltétrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.761
Molar Refractivity: 157.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4845.44
ACD/KOC (pH 5.5): 15088.02
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4881.30
ACD/KOC (pH 7.4): 15199.71
Polar Surface Area: 117 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 383.2±7.0 cm3

Click to predict properties on the Chemicalize site


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