ChemSpider 2D Image | N-Benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine | C17H18FN3O5

N-Benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine

  • Molecular FormulaC17H18FN3O5
  • Average mass363.340 Da
  • Monoisotopic mass363.123047 Da
  • ChemSpider ID44209493

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

874638-98-9 [RN]
Cytidine, N-benzoyl-2'-deoxy-2'-fluoro-2'-methyl- [ACD/Index Name]
N-{1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}benzamide
N-Benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine [ACD/IUPAC Name]
N-Benzoyl-2'-desoxy-2'-fluor-2'-methylcytidin [German] [ACD/IUPAC Name]
N-Benzoyl-2'-désoxy-2'-fluoro-2'-méthylcytidine [French] [ACD/IUPAC Name]
CS-14827
cytidine, n-benzoyl-2-deoxy-2-fluoro-2-methyl-, (2r)- (9ci)
Cytidine, N-benzoyl-2'-deoxy-2'-fluoro-2'-methyl-, (2'R)- (9CI)
n-(1-((2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
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    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: 1.644
    Molar Refractivity: 88.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.85
    ACD/LogD (pH 5.5): 0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 30.61
    ACD/LogD (pH 7.4): 0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 24.94
    Polar Surface Area: 111 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 56.7±7.0 dyne/cm
    Molar Volume: 243.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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