ChemSpider 2D Image | 1-(5-Ammonio-5-deoxy-beta-D-xylofuranosyl)-2,4(1H,3H)-pyrimidinedione | C9H14N3O5

1-(5-Ammonio-5-deoxy-β-D-xylofuranosyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H14N3O5
  • Average mass244.224 Da
  • Monoisotopic mass244.092804 Da
  • ChemSpider ID30777442

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(5-Ammonio-5-deoxy-β-D-xylofuranosyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(5-Ammonio-5-desoxy-β-D-xylofuranosyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(5-Ammonio-5-désoxy-β-D-xylofuranosyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-(5-amino-5-deoxy-β-D-xylofuranosyl)-, conjugate monoacid [ACD/Index Name]
[(2R,3R,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methanaminium

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

Density:
Boiling Point: 542.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 281.6±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.31
ACD/LogD (pH 5.5): -5.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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