ChemSpider 2D Image | 2-Amino-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-4(1H)-pyrimidinone | C9H12FN3O4

2-Amino-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-4(1H)-pyrimidinone

  • Molecular FormulaC9H12FN3O4
  • Average mass245.208 Da
  • Monoisotopic mass245.081177 Da
  • ChemSpider ID58806586

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Amino-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-4(1H)-pyrimidinone [ACD/IUPAC Name]
2-Amino-1-(2-désoxy-2-fluoro-β-D-arabinofuranosyl)-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2-Amino-1-(2-desoxy-2-fluor-β-D-arabinofuranosyl)-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4(1H)-Pyrimidinone, 2-amino-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)- [ACD/Index Name]
1006872-82-7 [RN]
2-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-4(1H)-one
MFCD25542474

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 500.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 88.5±6.0 kJ/mol
    Flash Point: 256.2±32.9 °C
    Index of Refraction: 1.697
    Molar Refractivity: 51.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -2.18
    ACD/LogD (pH 5.5): -2.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.64
    ACD/LogD (pH 7.4): -2.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.64
    Polar Surface Area: 108 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 71.4±7.0 dyne/cm
    Molar Volume: 134.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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