ChemSpider 2D Image | 2'-Deoxy-2'-fluoro-3',5'-di-O-isobutyryl-2'-(~2~H_3_)methylcytidine | C18H23D3FN3O6

2'-Deoxy-2'-fluoro-3',5'-di-O-isobutyryl-2'-(2H3)methylcytidine

  • Molecular FormulaC18H23D3FN3O6
  • Average mass402.432 Da
  • Monoisotopic mass402.199402 Da
  • ChemSpider ID52082621

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2'-Deoxy-2'-fluoro-3',5'-di-O-isobutyryl-2'-(2H3)methylcytidine [ACD/IUPAC Name]
2'-Desoxy-2'-fluor-3',5'-di-O-isobutyryl-2'-(2H3)methylcytidin [German] [ACD/IUPAC Name]
2'-Désoxy-2'-fluoro-3',5'-di-O-isobutyryl-2'-(2H3)méthylcytidine [French] [ACD/IUPAC Name]
Cytidine, 2'-deoxy-2'-fluoro-2'-methyl-d3-, 3',5'-bis(2-methylpropanoate) [ACD/Index Name]
Mericitabine-d3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 496.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.8±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 95.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.75
ACD/KOC (pH 5.5): 119.79
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 126.57
Polar Surface Area: 121 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 292.7±7.0 cm3

Click to predict properties on the Chemicalize site


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