ChemSpider 2D Image | N~2~-Phenyl-9-(beta-D-xylofuranosyl)-9H-purine-2,6-diamine | C16H18N6O4

N2-Phenyl-9-(β-D-xylofuranosyl)-9H-purine-2,6-diamine

  • Molecular FormulaC16H18N6O4
  • Average mass358.352 Da
  • Monoisotopic mass358.138947 Da
  • ChemSpider ID26358417
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

9H-Purine-2,6-diamine, N2-phenyl-9-β-D-xylofuranosyl- [ACD/Index Name]
N2-Phenyl-9-(β-D-xylofuranosyl)-9H-purin-2,6-diamin [German] [ACD/IUPAC Name]
N2-Phenyl-9-(β-D-xylofuranosyl)-9H-purine-2,6-diamine [ACD/IUPAC Name]
N2-Phényl-9-(β-D-xylofuranosyl)-9H-purine-2,6-diamine [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 766.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 417.1±35.7 °C
Index of Refraction: 1.829
Molar Refractivity: 88.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.13
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 38.69
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 41.15
Polar Surface Area: 152 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 84.8±7.0 dyne/cm
Molar Volume: 200.8±7.0 cm3

Click to predict properties on the Chemicalize site






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