ChemSpider 2D Image | 1-{2-[(1-~2~H)Deoxy]-beta-D-threo-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione | C9H11DN2O5

1-{2-[(1-2H)Deoxy]-β-D-threo-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H11DN2O5
  • Average mass229.208 Da
  • Monoisotopic mass229.080902 Da
  • ChemSpider ID58780719

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-{2-[(1-2H)Deoxy]-β-D-threo-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{2-[(1-2H)Desoxy]-β-D-threo-pentofuranosyl}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{2-[(1-2H)Désoxy]-β-D-thréo-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-(deoxy-1-d)-β-D-threo-pentofuranosyl]- [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: 1.603
Molar Refractivity: 51.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.70
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.65
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.61
Polar Surface Area: 99 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 148.8±3.0 cm3

Click to predict properties on the Chemicalize site


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