ChemSpider 2D Image | (3aS,4S,6R,6aR)-N-Cyclopropyl-6-{6-[(2-{1-[2-(dimethylamino)benzyl]-1H-indol-3-yl}ethyl)amino]-9H-purin-9-yl}-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide | C35H40N8O4

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

  • Molecular FormulaC35H40N8O4
  • Average mass636.743 Da
  • Monoisotopic mass636.317261 Da
  • ChemSpider ID8614513

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,4S,6R,6aR)-N-Cyclopropyl-6-{6-[(2-{1-[2-(dimethylamino)benzyl]-1H-indol-3-yl}ethyl)amino]-9H-purin-9-yl}-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-carboxamid [German] [ACD/IUPAC Name]
(3aS,4S,6R,6aR)-N-Cyclopropyl-6-{6-[(2-{1-[2-(dimethylamino)benzyl]-1H-indol-3-yl}ethyl)amino]-9H-purin-9-yl}-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide [ACD/IUPAC Name]
(3aS,4S,6R,6aR)-N-Cyclopropyl-6-{6-[(2-{1-[2-(diméthylamino)benzyl]-1H-indol-3-yl}éthyl)amino]-9H-purin-9-yl}-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.726
Molar Refractivity: 175.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 4550.37
ACD/KOC (pH 5.5): 12309.84
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7932.91
ACD/KOC (pH 7.4): 21460.43
Polar Surface Area: 121 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 441.1±7.0 cm3

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