ChemSpider 2D Image | 1-Deoxy-2-(6-hydroxy-9H-purin-9-yl)-6-O-phosphono-3-thio-beta-D-psicofuranosyl | C11H15N4O7PS

1-Deoxy-2-(6-hydroxy-9H-purin-9-yl)-6-O-phosphono-3-thio-β-D-psicofuranosyl

  • Molecular FormulaC11H15N4O7PS
  • Average mass378.298 Da
  • Monoisotopic mass378.039917 Da
  • ChemSpider ID65792518

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Deoxy-2-(6-hydroxy-9H-purin-9-yl)-6-O-phosphono-3-thio-β-D-psicofuranosyl [ACD/IUPAC Name]
1-Desoxy-2-(6-hydroxy-9H-purin-9-yl)-6-O-phosphono-3-thio-β-D-psicofuranosyl [German] [ACD/IUPAC Name]
1-Désoxy-2-(6-hydroxy-9H-purin-9-yl)-6-O-phosphono-3-thio-β-D-psicofuranosyl [French] [ACD/IUPAC Name]
β-D-Psicofuranosyl, 1-deoxy-2-(6-hydroxy-9H-purin-9-yl)-3-thio-, 6-(dihydrogen phosphate) [ACD/Index Name]
methyl-thioinosine monophosphate

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

Density: 2.1±0.1 g/cm3
Boiling Point: 754.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 410.2±35.7 °C
Index of Refraction: 1.834
Molar Refractivity: 80.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -5.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 105.2±7.0 dyne/cm
Molar Volume: 182.1±7.0 cm3

Click to predict properties on the Chemicalize site


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