ChemSpider 2D Image | N-(4-Aminobenzyl)-9-(beta-D-xylofuranosyl)-9H-purin-6-amine | C17H20N6O4

N-(4-Aminobenzyl)-9-(β-D-xylofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC17H20N6O4
  • Average mass372.379 Da
  • Monoisotopic mass372.154602 Da
  • ChemSpider ID128926892

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9H-Purin-6-amine, N-[(4-aminophenyl)methyl]-9-β-D-xylofuranosyl- [ACD/Index Name]
N-(4-Aminobenzyl)-9-(β-D-xylofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-(4-Aminobenzyl)-9-(β-D-xylofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
N-(4-Aminobenzyl)-9-(β-D-xylofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
95523-13-0 [RN]
N-[(4-Aminophenyl)methyl]adenosine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 749.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.8±35.7 °C
Index of Refraction: 1.800
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.24
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.40
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.22
Polar Surface Area: 152 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 79.7±7.0 dyne/cm
Molar Volume: 216.9±7.0 cm3

Click to predict properties on the Chemicalize site


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