ChemSpider 2D Image | Methyl 4-({6-amino-9-[(3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-9H-purin-2-yl}methyl)cyclohexanecarboxylate | C21H30N6O6

Methyl 4-({6-amino-9-[(3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-9H-purin-2-yl}methyl)cyclohexanecarboxylate

  • Molecular FormulaC21H30N6O6
  • Average mass462.500 Da
  • Monoisotopic mass462.222687 Da
  • ChemSpider ID24674037

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

4-({6-Amino-9-[(3R,4S,5S)-5-(éthylcarbamoyl)-3,4-dihydroxytétrahydro-2-furanyl]-9H-purin-2-yl}méthyl)cyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-({6-amino-9-[(3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-9H-purin-2-yl}methyl)cyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-4-({6-amino-9-[(3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-9H-purin-2-yl}methyl)cyclohexancarboxylat [German] [ACD/IUPAC Name]

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: 1.731
Molar Refractivity: 113.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.43
ACD/KOC (pH 5.5): 81.35
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.87
ACD/KOC (pH 7.4): 91.60
Polar Surface Area: 175 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 67.8±7.0 dyne/cm
Molar Volume: 283.0±7.0 cm3

Click to predict properties on the Chemicalize site


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