ChemSpider 2D Image | 9-(5-O-Phosphono-beta-D-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione | C10H13N4O7PS

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

  • Molecular FormulaC10H13N4O7PS
  • Average mass364.272 Da
  • Monoisotopic mass364.024261 Da
  • ChemSpider ID29788247

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

6H-Purine-6-thione, 1,9-dihydro-9-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]
9-(5-O-Phosphono-β-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
9-(5-O-Phosphono-β-D-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
9-(5-O-Phosphono-β-D-ribofuranosyl)-1,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
53-83-8 [RN]
6-thioinosine 5'-monophosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.3±0.1 g/cm3
Boiling Point: 833.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 457.9±37.1 °C
Index of Refraction: 1.903
Molar Refractivity: 75.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 122.3±7.0 dyne/cm
Molar Volume: 161.5±7.0 cm3

Click to predict properties on the Chemicalize site


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