ChemSpider 2D Image | (2S,3S,4R,5R)-5-(6-[(2,2-Diphenylethyl)amino]-2-{[(1R,2R)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide | C31H37N7O5

(2S,3S,4R,5R)-5-(6-[(2,2-Diphenylethyl)amino]-2-{[(1R,2R)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide

  • Molecular FormulaC31H37N7O5
  • Average mass587.669 Da
  • Monoisotopic mass587.285645 Da
  • ChemSpider ID23209512

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,3S,4R,5R)-5-(6-[(2,2-Diphenylethyl)amino]-2-{[(1R,2R)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-[(2,2-Diphenylethyl)amino]-2-{[(1R,2R)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-[(2,2-Diphényléthyl)amino]-2-{[(1R,2R)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-N-éthyl-3,4-dihydroxytétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-[(2,2-diphenylethyl)amino]-2-{[(1R,2R)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)
(2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-((1R,2R)-2-hydroxy-cyclopentylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide
CHEMBL131457

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: 1.730
Molar Refractivity: 157.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 102.70
ACD/KOC (pH 5.5): 925.59
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.59
ACD/KOC (pH 7.4): 1041.79
Polar Surface Area: 167 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 393.3±7.0 cm3

Click to predict properties on the Chemicalize site


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