ChemSpider 2D Image | 5-Fluoro-1-[(3xi)-beta-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione | C9H11FN2O6

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

  • Molecular FormulaC9H11FN2O6
  • Average mass262.192 Da
  • Monoisotopic mass262.060120 Da
  • ChemSpider ID23630247

  • 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-fluoro-1-[(3ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
5-Fluor-1-[(3ξ)-β-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Fluoro-1-[(3ξ)-β-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-Fluoro-1-[(3ξ)-β-D-thréo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
316-46-1 [RN]
MFCD00036832 [MDL number]

    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: 1.641
    Molar Refractivity: 53.5±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.34
    ACD/LogD (pH 5.5): -1.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.71
    ACD/LogD (pH 7.4): -1.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.58
    Polar Surface Area: 119 Å2
    Polarizability: 21.2±0.5 10-24cm3
    Surface Tension: 87.2±5.0 dyne/cm
    Molar Volume: 148.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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