ChemSpider 2D Image | N-Allyl-9-[(2xi)-beta-D-threo-pentofuranosyl]-9H-purin-6-amine | C13H17N5O4

N-Allyl-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC13H17N5O4
  • Average mass307.305 Da
  • Monoisotopic mass307.128052 Da
  • ChemSpider ID98608550

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9H-Purin-6-amine, 9-[(2ξ)-β-D-threo-pentofuranosyl]-N-2-propen-1-yl- [ACD/Index Name]
N-Allyl-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-Allyl-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
N-Allyl-9-[(2ξ)-β-D-thréo-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 646.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.6±34.3 °C
Index of Refraction: 1.750
Molar Refractivity: 74.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 34.87
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 35.25
Polar Surface Area: 126 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 71.6±7.0 dyne/cm
Molar Volume: 183.5±7.0 cm3

Click to predict properties on the Chemicalize site


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