ChemSpider 2D Image | (1R,2R,3S,4R,5S)-4-{2-Chloro-6-[(3-chlorobenzyl)amino]-9H-purin-9-yl}-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide | C20H20Cl2N6O3

(1R,2R,3S,4R,5S)-4-{2-Chloro-6-[(3-chlorobenzyl)amino]-9H-purin-9-yl}-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

  • Molecular FormulaC20H20Cl2N6O3
  • Average mass463.317 Da
  • Monoisotopic mass462.097382 Da
  • ChemSpider ID24633018

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,3S,4R,5S)-4-{2-Chlor-6-[(3-chlorbenzyl)amino]-9H-purin-9-yl}-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexan-1-carboxamid [German] [ACD/IUPAC Name]
(1R,2R,3S,4R,5S)-4-{2-Chloro-6-[(3-chlorobenzyl)amino]-9H-purin-9-yl}-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide [ACD/IUPAC Name]
(1R,2R,3S,4R,5S)-4-{2-Chloro-6-[(3-chlorobenzyl)amino]-9H-purin-9-yl}-2,3-dihydroxy-N-méthylbicyclo[3.1.0]hexane-1-carboxamide [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hexane-1-carboxamide, 4-[2-chloro-6-[[(3-chlorophenyl)methyl]amino]-9H-purin-9-yl]-2,3-dihydroxy-N-methyl-, (1R,2R,3S,4R,5S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.817
Molar Refractivity: 113.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.22
ACD/KOC (pH 5.5): 244.34
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.22
ACD/KOC (pH 7.4): 244.34
Polar Surface Area: 125 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 74.8±7.0 dyne/cm
Molar Volume: 261.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement