ChemSpider 2D Image | 1-[(3xi)-2-Deoxy-beta-L-glycero-pentofuranosyl]-5-ethynyl-2,4(1H,3H)-pyrimidinedione | C11H12N2O5

1-[(3ξ)-2-Deoxy-β-L-glycero-pentofuranosyl]-5-ethynyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC11H12N2O5
  • Average mass252.223 Da
  • Monoisotopic mass252.074615 Da
  • ChemSpider ID111311589

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-[(3ξ)-2-Deoxy-β-L-glycero-pentofuranosyl]-5-ethynyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(3ξ)-2-Desoxy-β-L-glycero-pentofuranosyl]-5-ethinyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(3ξ)-2-Désoxy-β-L-glycéro-pentofuranosyl]-5-éthynyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-2-deoxy-β-L-glycero-pentofuranosyl]-5-ethynyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 58.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.24
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.35
Polar Surface Area: 99 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 81.4±5.0 dyne/cm
Molar Volume: 162.5±5.0 cm3

Click to predict properties on the Chemicalize site


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