ChemSpider 2D Image | N-Acetyl-9-(5-O-phosphono-beta-D-xylofuranosyl)-9H-purin-6-amine | C12H16N5O8P

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

  • Molecular FormulaC12H16N5O8P
  • Average mass389.258 Da
  • Monoisotopic mass389.073639 Da
  • ChemSpider ID114813786

  • 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-acetyl-9-(5-O-phosphono-β-D-xylofuranosyl)- [ACD/Index Name]
N-Acetyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-Acetyl-9-(5-O-phosphono-β-D-xylofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
N-Acétyl-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: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.819
Molar Refractivity: 80.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -5.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 110.6±7.0 dyne/cm
Molar Volume: 186.1±7.0 cm3

Click to predict properties on the Chemicalize site


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