ChemSpider 2D Image | 9-[(1S,2S,3S)-2,3-Bis(hydroxymethyl)(1,2,3-~3~H_3_)cyclobutyl]-2-imino-3,9-dihydro-2H-purin-6-ol | C11H12T3N5O3

9-[(1S,2S,3S)-2,3-Bis(hydroxymethyl)(1,2,3-3H3)cyclobutyl]-2-imino-3,9-dihydro-2H-purin-6-ol

  • Molecular FormulaC11H12T3N5O3
  • Average mass271.293 Da
  • Monoisotopic mass271.142151 Da
  • ChemSpider ID57267888

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

9-[(1S,2S,3S)-2,3-Bis(hydroxymethyl)(1,2,3-3H3)cyclobutyl]-2-imino-3,9-dihydro-2H-purin-6-ol [German] [ACD/IUPAC Name]
9-[(1S,2S,3S)-2,3-Bis(hydroxymethyl)(1,2,3-3H3)cyclobutyl]-2-imino-3,9-dihydro-2H-purin-6-ol [ACD/IUPAC Name]
9-[(1S,2S,3S)-2,3-Bis(hydroxyméthyl)(1,2,3-3H3)cyclobutyl]-2-imino-3,9-dihydro-2H-purin-6-ol [French] [ACD/IUPAC Name]
Cyclobutane-1,2,3-t3-1,2-dimethanol, 3-(2,3-dihydro-6-hydroxy-2-imino-9H-purin-9-yl)-, (1S,2S,3S)- [ACD/Index Name]
LOBUCAVIR[3H]

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

Density:
Boiling Point: 635.5±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.1±29.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.79
ACD/LogD (pH 5.5): -4.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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