ChemSpider 2D Image | N,N-Dimethyl-9-(5-O-phosphono-beta-D-xylofuranosyl)-9H-purin-6-amine | C12H18N5O7P

N,N-Dimethyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC12H18N5O7P
  • Average mass375.274 Da
  • Monoisotopic mass375.094391 Da
  • ChemSpider ID114813546

  • 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-dimethyl-9-(5-O-phosphono-β-D-xylofuranosyl)- [ACD/Index Name]
N,N-Dimethyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
N,N-Dimethyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
N,N-Diméthyl-9-(5-O-phosphono-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: 1.9±0.1 g/cm3
Boiling Point: 727.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.8±35.7 °C
Index of Refraction: 1.772
Molar Refractivity: 80.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -4.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 94.3±7.0 dyne/cm
Molar Volume: 194.1±7.0 cm3

Click to predict properties on the Chemicalize site


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