ChemSpider 2D Image | 2-Amino-8-(4-methoxyphenyl)-9-(5-O-phosphono-beta-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one | C17H20N5O9P

2-Amino-8-(4-methoxyphenyl)-9-(5-O-phosphono-β-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC17H20N5O9P
  • Average mass469.343 Da
  • Monoisotopic mass469.099854 Da
  • ChemSpider ID114813085

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Amino-8-(4-methoxyphenyl)-9-(5-O-phosphono-β-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-8-(4-methoxyphenyl)-9-(5-O-phosphono-β-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-8-(4-méthoxyphényl)-9-(5-O-phosphono-β-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-1,9-dihydro-8-(4-methoxyphenyl)-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: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.807
Molar Refractivity: 101.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -5.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 100.5±7.0 dyne/cm
Molar Volume: 236.4±7.0 cm3

Click to predict properties on the Chemicalize site


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