ChemSpider 2D Image | N-Methyl-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-amine | C11H16N5O7P

N-Methyl-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC11H16N5O7P
  • Average mass361.248 Da
  • Monoisotopic mass361.078735 Da
  • ChemSpider ID24674215
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

9H-Purin-6-amine, N-methyl-9-(5-O-phosphono-D-ribofuranosyl)- [ACD/Index Name]
N-Methyl-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-Methyl-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
N-Méthyl-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 770.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 419.8±35.7 °C
Index of Refraction: 1.824
Molar Refractivity: 75.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -4.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 109.8±7.0 dyne/cm
Molar Volume: 172.8±7.0 cm3

Click to predict properties on the Chemicalize site






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