ChemSpider 2D Image | Methyl 4-[3-(6-amino-9-{(2R,3R,4S,5S)-5-[(2,2,3,3-~2~H_4_)cyclopropylcarbamoyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purin-2-yl)-2-propyn-1-yl]-1-piperidinecarboxylate (non-preferred name) | C23H25D4N7O6

Methyl 4-[3-(6-amino-9-{(2R,3R,4S,5S)-5-[(2,2,3,3-2H4)cyclopropylcarbamoyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purin-2-yl)-2-propyn-1-yl]-1-piperidinecarboxylate (non-preferred name)

  • Molecular FormulaC23H25D4N7O6
  • Average mass503.544 Da
  • Monoisotopic mass503.243042 Da
  • ChemSpider ID107442729

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

4-[3-(6-Amino-9-{(2R,3R,4S,5S)-5-[(2,2,3,3-2H4)cyclopropylcarbamoyl]-3,4-dihydroxytétrahydro-2-furanyl}-9H-purin-2-yl)-2-propyn-1-yl]-1-pipéridinecarboxylate de méthyle (non-preferred name) [French] [ACD/IUPAC Name]
Methyl 4-[3-(6-amino-9-{(2R,3R,4S,5S)-5-[(2,2,3,3-2H4)cyclopropylcarbamoyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purin-2-yl)-2-propyn-1-yl]-1-piperidinecarboxylate (non-preferred name) [ACD/IUPAC Name]
Methyl-4-[3-(6-amino-9-{(2R,3R,4S,5S)-5-[(2,2,3,3-2H4)cyclopropylcarbamoyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purin-2-yl)-2-propin-1-yl]-1-piperidincarboxylat (non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.769
Molar Refractivity: 123.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.76
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.77
Polar Surface Area: 178 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 74.6±7.0 dyne/cm
Molar Volume: 298.2±7.0 cm3

Click to predict properties on the Chemicalize site


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