ChemSpider 2D Image | N-Benzyl-9-[(5xi)-alpha-D-xylo-hexopyranosyl]-9H-purin-6-amine | C18H21N5O5

N-Benzyl-9-[(5ξ)-α-D-xylo-hexopyranosyl]-9H-purin-6-amine

  • Molecular FormulaC18H21N5O5
  • Average mass387.390 Da
  • Monoisotopic mass387.154266 Da
  • ChemSpider ID29788636

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

9H-Purin-6-amine, 9-[(5ξ)-α-D-xylo-hexopyranosyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-9-[(5ξ)-α-D-xylo-hexopyranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-Benzyl-9-[(5ξ)-α-D-xylo-hexopyranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
N-Benzyl-9-[(5ξ)-α-D-xylo-hexopyranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
4294-17-1 [RN]
6-Benzylamino-9-(a-D-glucopyranosyl)purine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 713.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.5±35.7 °C
Index of Refraction: 1.762
Molar Refractivity: 96.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 41.14
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 41.79
Polar Surface Area: 146 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 74.2±7.0 dyne/cm
Molar Volume: 233.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement