ChemSpider 2D Image | 5-Hydroxy-1-[(2xi)-beta-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione | C9H12N2O7

5-Hydroxy-1-[(2ξ)-β-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H12N2O7
  • Average mass260.201 Da
  • Monoisotopic mass260.064453 Da
  • ChemSpider ID58785587

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-hydroxy-1-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
5-Hydroxy-1-[(2ξ)-β-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Hydroxy-1-[(2ξ)-β-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-Hydroxy-1-[(2ξ)-β-D-thréo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 54.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.04
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.87
Polar Surface Area: 140 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 114.5±3.0 dyne/cm
Molar Volume: 140.8±3.0 cm3

Click to predict properties on the Chemicalize site


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