ChemSpider 2D Image | 2-Amino-9-{(1R,2S)-2,3-bis[hydroxy(~2~H_2_)methyl]cyclobutyl}-1,9-dihydro-6H-purin-6-one | C11H11D4N5O3

2-Amino-9-{(1R,2S)-2,3-bis[hydroxy(2H2)methyl]cyclobutyl}-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC11H11D4N5O3
  • Average mass269.293 Da
  • Monoisotopic mass269.142609 Da
  • ChemSpider ID48060149
  • defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

2-Amino-9-{(1R,2S)-2,3-bis[hydroxy(2H2)methyl]cyclobutyl}-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{(1R,2S)-2,3-bis[hydroxy(2H2)methyl]cyclobutyl}-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{(1R,2S)-2,3-bis[hydroxy(2H2)méthyl]cyclobutyl}-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-[(1R,2S)-2,3-bis(hydroxymethyl-d2)cyclobutyl]-1,9-dihydro- [ACD/Index Name]
1346597-42-9 [RN]
2-amino-9-[(1R,2S)-2,3-bis[dideuterio(hydroxy)methyl]cyclobutyl]-3H-purin-6-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.882
Molar Refractivity: 63.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.53
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.50
Polar Surface Area: 126 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 96.9±7.0 dyne/cm
Molar Volume: 137.8±7.0 cm3

Click to predict properties on the Chemicalize site






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