ChemSpider 2D Image | 2-Amino-9-(5-O-thiophosphono-beta-D-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione | C10H14N5O6PS2

2-Amino-9-(5-O-thiophosphono-β-D-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione

  • Molecular FormulaC10H14N5O6PS2
  • Average mass395.352 Da
  • Monoisotopic mass395.012299 Da
  • ChemSpider ID25947388

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Amino-9-(5-O-thiophosphono-β-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
2-Amino-9-(5-O-thiophosphono-β-D-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
2-Amino-9-(5-O-thiophosphono-β-D-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
6H-Purine-6-thione, 2-amino-9-[5-O-(dihydroxyphosphinothioyl)-β-D-ribofuranosyl]-1,9-dihydro- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 856.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 471.8±37.1 °C
Index of Refraction: 1.980
Molar Refractivity: 83.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -5.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 125.0±7.0 dyne/cm
Molar Volume: 169.7±7.0 cm3

Click to predict properties on the Chemicalize site


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