ChemSpider 2D Image | 9-[5-S-(Fluoromethyl)-5-thio-D-ribofuranosyl]-9H-purin-6-amine | C11H14FN5O3S

9-[5-S-(Fluoromethyl)-5-thio-D-ribofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC11H14FN5O3S
  • Average mass315.324 Da
  • Monoisotopic mass315.080139 Da
  • ChemSpider ID24654714

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9-[5-S-(Fluormethyl)-5-thio-D-ribofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[5-S-(Fluoromethyl)-5-thio-D-ribofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[5-S-(Fluorométhyl)-5-thio-D-ribofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-S-(fluoromethyl)-5-thio-D-ribofuranosyl]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 659.2±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: 352.5±34.3 °C
Index of Refraction: 1.818
Molar Refractivity: 71.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.95
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.87
Polar Surface Area: 145 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 82.5±7.0 dyne/cm
Molar Volume: 164.4±7.0 cm3

Click to predict properties on the Chemicalize site


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