ChemSpider 2D Image | 6-Amino-9-(beta-L-xylofuranosyl)-9H-purine-8-thiol | C10H13N5O4S

6-Amino-9-(β-L-xylofuranosyl)-9H-purine-8-thiol

  • Molecular FormulaC10H13N5O4S
  • Average mass299.306 Da
  • Monoisotopic mass299.068817 Da
  • ChemSpider ID62569123

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-Amino-9-(β-L-xylofuranosyl)-7,9-dihydro-8H-purin-8-thion [German] [ACD/IUPAC Name]
6-Amino-9-(β-L-xylofuranosyl)-7,9-dihydro-8H-purine-8-thione [ACD/IUPAC Name]
6-Amino-9-(β-L-xylofuranosyl)-7,9-dihydro-8H-purine-8-thione [French] [ACD/IUPAC Name]
6-Amino-9-(β-L-xylofuranosyl)-9H-purin-8-thiol [German] [ACD/IUPAC Name]
6-Amino-9-(β-L-xylofuranosyl)-9H-purine-8-thiol [ACD/IUPAC Name]
6-Amino-9-(β-L-xylofuranosyl)-9H-purine-8-thiol [French] [ACD/IUPAC Name]
8H-Purine-8-thione, 6-amino-7,9-dihydro-9-β-L-xylofuranosyl- [ACD/Index Name]
9H-Purine-8-thiol, 6-amino-9-β-L-xylofuranosyl- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 705.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.7±35.7 °C
Index of Refraction: 1.975
Molar Refractivity: 67.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -2.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 108.4±7.0 dyne/cm
Molar Volume: 136.9±7.0 cm3

Click to predict properties on the Chemicalize site


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