ChemSpider 2D Image | 5-(Carboxymethyl)-1-[(2xi)-beta-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione | C11H14N2O8

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

  • Molecular FormulaC11H14N2O8
  • Average mass302.237 Da
  • Monoisotopic mass302.075012 Da
  • ChemSpider ID58785573

  • 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-(carboxymethyl)-1-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
5-(Carboxymethyl)-1-[(2ξ)-β-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-(Carboxymethyl)-1-[(2ξ)-β-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-(Carboxyméthyl)-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: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -3.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 92.5±3.0 dyne/cm
Molar Volume: 176.0±3.0 cm3

Click to predict properties on the Chemicalize site


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