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

2-Methyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC11H16N5O7P
  • Average mass361.248 Da
  • Monoisotopic mass361.078735 Da
  • ChemSpider ID114813265

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Methyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
2-Methyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
2-Méthyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 2-methyl-9-(5-O-phosphono-β-D-xylofuranosyl)- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 643.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.2±34.3 °C
Index of Refraction: 1.861
Molar Refractivity: 74.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -5.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 121.0±7.0 dyne/cm
Molar Volume: 164.8±7.0 cm3

Click to predict properties on the Chemicalize site


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