ChemSpider 2D Image | 2'-Thioinosine 5'-(dihydrogen phosphate) | C10H13N4O7PS

2'-Thioinosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC10H13N4O7PS
  • Average mass364.272 Da
  • Monoisotopic mass364.024261 Da
  • ChemSpider ID29323998

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2'-Thioinosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
2'-Thioinosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
2'-Thioinosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-(5-O-phosphono-2-thio-β-D-ribofuranosyl)- [ACD/Index Name]
thioinosine 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: 784.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.3±35.7 °C
Index of Refraction: 1.903
Molar Refractivity: 75.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -5.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 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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