ChemSpider 2D Image | 6-Amino-9-[(3xi)-beta-D-threo-pentofuranosyl]-3,9-dihydro-2H-purin-2-one | C10H13N5O5

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

  • Molecular FormulaC10H13N5O5
  • Average mass283.241 Da
  • Monoisotopic mass283.091675 Da
  • ChemSpider ID58782892
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

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

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.955
Molar Refractivity: 60.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -3.42
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 123.8±7.0 dyne/cm
Molar Volume: 125.4±7.0 cm3

Click to predict properties on the Chemicalize site






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