ChemSpider 2D Image | 2-Amino-8-hydroxy-9-[(3xi)-beta-D-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one | C10H13N5O6

2-Amino-8-hydroxy-9-[(3ξ)-β-D-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H13N5O6
  • Average mass299.240 Da
  • Monoisotopic mass299.086578 Da
  • ChemSpider ID58783299

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Amino-8-hydroxy-9-[(3ξ)-β-D-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-8-hydroxy-9-[(3ξ)-β-D-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-8-hydroxy-9-[(3ξ)-β-D-thréo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-1,9-dihydro-8-hydroxy-9-[(3ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.007
Molar Refractivity: 61.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -1.38
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.09
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.93
Polar Surface Area: 175 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 142.7±7.0 dyne/cm
Molar Volume: 122.7±7.0 cm3

Click to predict properties on the Chemicalize site


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