ChemSpider 2D Image | 1-[(2xi)-5-O-Benzoyl-beta-D-threo-pentofuranosyl]-5-(~2~H_3_)methyl-2,4(1H,3H)-pyrimidinedione | C17H15D3N2O7

1-[(2ξ)-5-O-Benzoyl-β-D-threo-pentofuranosyl]-5-(2H3)methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC17H15D3N2O7
  • Average mass365.353 Da
  • Monoisotopic mass365.130219 Da
  • ChemSpider ID111308410

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-[(2ξ)-5-O-Benzoyl-β-D-threo-pentofuranosyl]-5-(2H3)methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(2ξ)-5-O-Benzoyl-β-D-threo-pentofuranosyl]-5-(2H3)methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(2ξ)-5-O-Benzoyl-β-D-thréo-pentofuranosyl]-5-(2H3)méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(2ξ)-5-O-benzoyl-β-D-threo-pentofuranosyl]-5-(methyl-d3)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 40.43
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 40.08
Polar Surface Area: 125 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 248.6±3.0 cm3

Click to predict properties on the Chemicalize site


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