ChemSpider 2D Image | (2S,3S,4R,5R)-5-[6-Amino-2-(3-pentanylamino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide | C17H27N7O4

(2S,3S,4R,5R)-5-[6-Amino-2-(3-pentanylamino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide

  • Molecular FormulaC17H27N7O4
  • Average mass393.441 Da
  • Monoisotopic mass393.212463 Da
  • ChemSpider ID23209549

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5R)-5-[6-Amino-2-(3-pentanylamino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-[6-Amino-2-(3-pentanylamino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-[6-Amino-2-(3-pentanylamino)-9H-purin-9-yl]-N-éthyl-3,4-dihydroxytétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-[6-amino-2-(pentan-3-ylamino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)
(2S,3S,4R,5R)-5-[6-Amino-2-(1-ethyl-propylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide
CHEMBL131534

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 97.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 39.39
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.43
Polar Surface Area: 160 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 247.5±7.0 cm3

Click to predict properties on the Chemicalize site


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