ChemSpider 2D Image | 9-[5-S-(3-Fluoropropyl)-5-thiopentofuranosyl]-9H-purin-6-amine | C13H18FN5O3S

9-[5-S-(3-Fluoropropyl)-5-thiopentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC13H18FN5O3S
  • Average mass343.377 Da
  • Monoisotopic mass343.111450 Da
  • ChemSpider ID24618978
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

9-[5-S-(3-Fluoropropyl)-5-thiopentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[5-S-(3-Fluoropropyl)-5-thiopentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9-[5-S-(3-Fluorpropyl)-5-thiopentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-S-(3-fluoropropyl)-5-thiopentofuranosyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 658.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.3±34.3 °C
Index of Refraction: 1.757
Molar Refractivity: 80.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 44.71
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 46.30
Polar Surface Area: 145 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 196.5±7.0 cm3

Click to predict properties on the Chemicalize site






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