ChemSpider 2D Image | 6-(Benzylsulfanyl)-9-(beta-D-ribofuranosyl)-9H-purin-2-amine | C17H19N5O4S

6-(Benzylsulfanyl)-9-(β-D-ribofuranosyl)-9H-purin-2-amine

  • Molecular FormulaC17H19N5O4S
  • Average mass389.429 Da
  • Monoisotopic mass389.115784 Da
  • ChemSpider ID23318204

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-(Benzylsulfanyl)-9-(β-D-ribofuranosyl)-9H-purin-2-amin [German] [ACD/IUPAC Name]
6-(Benzylsulfanyl)-9-(β-D-ribofuranosyl)-9H-purin-2-amine [ACD/IUPAC Name]
6-(Benzylsulfanyl)-9-(β-D-ribofuranosyl)-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 6-[(phenylmethyl)thio]-9-β-D-ribofuranosyl- [ACD/Index Name]
(2R,3R,4S,5R)-2-(2-amino-6-(benzylthio)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL407159/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 777.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 424.2±35.7 °C
Index of Refraction: 1.807
Molar Refractivity: 97.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 54.25
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 54.28
Polar Surface Area: 165 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 79.9±7.0 dyne/cm
Molar Volume: 226.7±7.0 cm3

Click to predict properties on the Chemicalize site


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