ChemSpider 2D Image | 5'-Deoxy-5'-fluoro-N-[hydroxy(2-pentanyloxy)methylene]cytidine | C15H22FN3O6

5'-Deoxy-5'-fluoro-N-[hydroxy(2-pentanyloxy)methylene]cytidine

  • Molecular FormulaC15H22FN3O6
  • Average mass359.350 Da
  • Monoisotopic mass359.149261 Da
  • ChemSpider ID57270319

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

5'-Deoxy-5'-fluoro-N-[hydroxy(2-pentanyloxy)methylene]cytidine [ACD/IUPAC Name]
5'-Desoxy-5'-fluor-N-[hydroxy(2-pentanyloxy)methylen]cytidin [German] [ACD/IUPAC Name]
5'-Désoxy-5'-fluoro-N-[hydroxy(2-pentanyloxy)méthylène]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-deoxy-5'-fluoro-N-[hydroxy(1-methylbutoxy)methylene]- [ACD/Index Name]
5'-DEOXY-5-FLUORO-N-((2-METHYLBUTOXY)CARBONYL)CYTIDINE
910129-15-6 [RN]
MFCD18252606 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 550.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.4±6.0 kJ/mol
Flash Point: 286.5±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 82.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -2.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 240.5±7.0 cm3

Click to predict properties on the Chemicalize site


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