ChemSpider 2D Image | N,N-Diethyl-9-(beta-D-xylofuranosyl)-9H-purin-6-amine | C14H21N5O4

N,N-Diethyl-9-(β-D-xylofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC14H21N5O4
  • Average mass323.348 Da
  • Monoisotopic mass323.159363 Da
  • ChemSpider ID114813583

  • 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,N-diethyl-9-β-D-xylofuranosyl- [ACD/Index Name]
N,N-Diethyl-9-(β-D-xylofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
N,N-Diethyl-9-(β-D-xylofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
N,N-Diéthyl-9-(β-D-xylofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 608.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.7±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 80.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.46
ACD/KOC (pH 5.5): 63.84
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.81
ACD/KOC (pH 7.4): 72.83
Polar Surface Area: 117 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 204.8±7.0 cm3

Click to predict properties on the Chemicalize site


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