ChemSpider 2D Image | 2-Amino-1-methyl-9-(beta-L-xylofuranosyl)-7,9-dihydro-1H-purine-6,8-dione | C11H15N5O6

2-Amino-1-methyl-9-(β-L-xylofuranosyl)-7,9-dihydro-1H-purine-6,8-dione

  • Molecular FormulaC11H15N5O6
  • Average mass313.267 Da
  • Monoisotopic mass313.102234 Da
  • ChemSpider ID62572993

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Purine-6,8-dione, 2-amino-7,9-dihydro-1-methyl-9-β-L-xylofuranosyl- [ACD/Index Name]
2-Amino-1-methyl-9-(β-L-xylofuranosyl)-7,9-dihydro-1H-purin-6,8-dion [German] [ACD/IUPAC Name]
2-Amino-1-methyl-9-(β-L-xylofuranosyl)-7,9-dihydro-1H-purine-6,8-dione [ACD/IUPAC Name]
2-Amino-1-méthyl-9-(β-L-xylofuranosyl)-7,9-dihydro-1H-purine-6,8-dione [French] [ACD/IUPAC Name]
6H-Purin-6-one, 1,2,3,9-tetrahydro-8-hydroxy-2-imino-1-methyl-9-β-L-xylofuranosyl- [ACD/Index Name]
8-Hydroxy-2-imino-1-methyl-9-(β-L-xylofuranosyl)-1,2,3,9-tetrahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
8-Hydroxy-2-imino-1-methyl-9-(β-L-xylofuranosyl)-1,2,3,9-tetrahydro-6H-purin-6-one [ACD/IUPAC Name]
8-Hydroxy-2-imino-1-méthyl-9-(β-L-xylofuranosyl)-1,2,3,9-tétrahydro-6H-purin-6-one [French] [ACD/IUPAC 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: 725.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.4±35.7 °C
Index of Refraction: 1.900
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 164 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 113.0±7.0 dyne/cm
Molar Volume: 144.0±7.0 cm3

Click to predict properties on the Chemicalize site


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