ChemSpider 2D Image | 9-[(2xi)-beta-D-threo-Pentofuranosyl]-6-sulfanyl-3,9-dihydro-2H-purin-2-one | C10H12N4O5S

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

  • Molecular FormulaC10H12N4O5S
  • Average mass300.291 Da
  • Monoisotopic mass300.052826 Da
  • ChemSpider ID58785368

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2H-Purin-2-one, 3,9-dihydro-6-mercapto-9-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
9-[(2ξ)-β-D-threo-Pentofuranosyl]-6-sulfanyl-3,9-dihydro-2H-purin-2-on [German] [ACD/IUPAC Name]
9-[(2ξ)-β-D-threo-Pentofuranosyl]-6-sulfanyl-3,9-dihydro-2H-purin-2-one [ACD/IUPAC Name]
9-[(2ξ)-β-D-thréo-Pentofuranosyl]-6-sulfanyl-3,9-dihydro-2H-purin-2-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.948
Molar Refractivity: 66.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -4.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 105.4±7.0 dyne/cm
Molar Volume: 137.4±7.0 cm3

Click to predict properties on the Chemicalize site


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