ChemSpider 2D Image | O-{[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furanyl]methyl} dihydrogen phosphorothioate | C10H12N5O6PS

O-{[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furanyl]methyl} dihydrogen phosphorothioate

  • Molecular FormulaC10H12N5O6PS
  • Average mass361.271 Da
  • Monoisotopic mass361.024597 Da
  • ChemSpider ID64883313

More details:

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

6H-Purin-6-one, 2-amino-9-[5-[[(dihydroxyphosphinothioyl)oxy]methyl]-2,5-dihydro-4-hydroxy-2-furanyl]-1,9-dihydro- [ACD/Index Name]
Dihydrogénophosphorothioate de O-{[5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furanyl]méthyle} [French] [ACD/IUPAC Name]
O-{[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furanyl]methyl} dihydrogen phosphorothioate [ACD/IUPAC Name]
O-{[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furanyl]methyl}dihydrogenphosphorothioat [German] [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: 1.925
Molar Refractivity: 76.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -4.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 125.2±7.0 dyne/cm
Molar Volume: 161.0±7.0 cm3

Click to predict properties on the Chemicalize site


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