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

O-{[5-(2-Imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-3-oxotetrahydro-2-furanyl]methyl} dihydrogen phosphorothioate

  • Molecular FormulaC10H12N5O6PS
  • Average mass361.271 Da
  • Monoisotopic mass361.024597 Da
  • ChemSpider ID95700012

More details:

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

6H-Purin-6-one, 9-[5-[[(dihydroxyphosphinothioyl)oxy]methyl]tetrahydro-4-oxo-2-furanyl]-1,2,3,9-tetrahydro-2-imino- [ACD/Index Name]
Dihydrogénophosphorothioate de O-{[5-(2-imino-6-oxo-1,2,3,6-tétrahydro-9H-purin-9-yl)-3-oxotétrahydro-2-furanyl]méthyle} [French] [ACD/IUPAC Name]
O-{[5-(2-Imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-3-oxotetrahydro-2-furanyl]methyl} dihydrogen phosphorothioate [ACD/IUPAC Name]
O-{[5-(2-Imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-3-oxotetrahydro-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: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.68
ACD/LogD (pH 5.5): -5.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 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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