ChemSpider 2D Image | N-{6-(2-Cyanoethoxy)-9-[(2R,6S)-6-(hydroxymethyl)-4-trityl-2-morpholinyl]-9H-purin-2-yl}-2-methylpropanamide | C36H37N7O4

N-{6-(2-Cyanoethoxy)-9-[(2R,6S)-6-(hydroxymethyl)-4-trityl-2-morpholinyl]-9H-purin-2-yl}-2-methylpropanamide

  • Molecular FormulaC36H37N7O4
  • Average mass631.724 Da
  • Monoisotopic mass631.290710 Da
  • ChemSpider ID128922144

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-{6-(2-Cyanethoxy)-9-[(2R,6S)-6-(hydroxymethyl)-4-trityl-2-morpholinyl]-9H-purin-2-yl}-2-methylpropanamid [German] [ACD/IUPAC Name]
N-{6-(2-Cyanoethoxy)-9-[(2R,6S)-6-(hydroxymethyl)-4-trityl-2-morpholinyl]-9H-purin-2-yl}-2-methylpropanamide [ACD/IUPAC Name]
N-{6-(2-Cyanoéthoxy)-9-[(2R,6S)-6-(hydroxyméthyl)-4-trityl-2-morpholinyl]-9H-purin-2-yl}-2-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[6-(2-cyanoethoxy)-9-[(2R,6S)-6-(hydroxymethyl)-4-(triphenylmethyl)-2-morpholinyl]-9H-purin-2-yl]-2-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 179.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2328.85
ACD/KOC (pH 5.5): 8936.38
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2315.59
ACD/KOC (pH 7.4): 8885.53
Polar Surface Area: 138 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 488.1±7.0 cm3

Click to predict properties on the Chemicalize site


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