ChemSpider 2D Image | 9-(beta-D-Xylofuranosyl)-9H-purine | C10H12N4O4

9-(β-D-Xylofuranosyl)-9H-purine

  • Molecular FormulaC10H12N4O4
  • Average mass252.227 Da
  • Monoisotopic mass252.085861 Da
  • ChemSpider ID76920465

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-(β-D-Xylofuranosyl)-9H-purin [German] [ACD/IUPAC Name]
9-(β-D-Xylofuranosyl)-9H-purine [ACD/IUPAC Name]
9-(β-D-Xylofuranosyl)-9H-purine [French] [ACD/IUPAC Name]
9H-Purine, 9-β-D-xylofuranosyl- [ACD/Index Name]
(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(9H-purin-9-yl)oxolane-3,4-diol
550-33-4 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 591.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 311.6±32.9 °C
Index of Refraction: 1.837
Molar Refractivity: 58.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.17
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.18
Polar Surface Area: 114 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 90.9±7.0 dyne/cm
Molar Volume: 131.4±7.0 cm3

Click to predict properties on the Chemicalize site


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