ChemSpider 2D Image | 1-Methyl-9-(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imine | C11H16N5O7P

1-Methyl-9-(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imine

  • Molecular FormulaC11H16N5O7P
  • Average mass361.248 Da
  • Monoisotopic mass361.078735 Da
  • ChemSpider ID57523076

More details:

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

1-Methyl-9-(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imin [German] [ACD/IUPAC Name]
1-Methyl-9-(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imine [ACD/IUPAC Name]
1-Méthyl-9-(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imine [French] [ACD/IUPAC Name]
6H-Purin-6-imine, 1,9-dihydro-1-methyl-9-(5-O-phosphonopentofuranosyl)- [ACD/Index Name]
10254-91-8 [RN]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 776.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.4±35.7 °C
Index of Refraction: 1.833
Molar Refractivity: 75.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.97
ACD/LogD (pH 5.5): -5.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 116.1±7.0 dyne/cm
Molar Volume: 170.9±7.0 cm3

Click to predict properties on the Chemicalize site


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