ChemSpider 2D Image | 1-Methyl-9-(5-O-phosphono-D-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione | C11H15N4O7PS

1-Methyl-9-(5-O-phosphono-D-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione

  • Molecular FormulaC11H15N4O7PS
  • Average mass378.298 Da
  • Monoisotopic mass378.039917 Da
  • ChemSpider ID24657758

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-Methyl-9-(5-O-phosphono-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
1-Methyl-9-(5-O-phosphono-D-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
1-Méthyl-9-(5-O-phosphono-D-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
6H-Purine-6-thione, 1,9-dihydro-1-methyl-9-(5-O-phosphono-D-ribofuranosyl)- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 802.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 439.0±37.1 °C
Index of Refraction: 1.835
Molar Refractivity: 80.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -5.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 103.1±7.0 dyne/cm
Molar Volume: 182.8±7.0 cm3

Click to predict properties on the Chemicalize site


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