ChemSpider 2D Image | [(2R,5S)-5-(4-Amino-5-fluoro-2-oxo-3,6-dihydro-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate | C8H14FN3O9P2S

[(2R,5S)-5-(4-Amino-5-fluoro-2-oxo-3,6-dihydro-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate

  • Molecular FormulaC8H14FN3O9P2S
  • Average mass409.222 Da
  • Monoisotopic mass408.990997 Da
  • ChemSpider ID35035942

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2R,5S)-5-(4-Amino-5-fluor-2-oxo-3,6-dihydro-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
[(2R,5S)-5-(4-Amino-5-fluoro-2-oxo-3,6-dihydro-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate [ACD/IUPAC Name]
[(2r,5s)-5-(4-Amino-5-Fluoro-2-Oxo-3,6-Dihydropyrimidin-1(2h)-Yl)-1,3-Oxathiolan-2-Yl]methyl Trihydrogen Diphosphate
Diphosphoric acid, mono[[(2R,5S)-5-(4-amino-5-fluoro-3,6-dihydro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de [(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydro-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 77.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.15
ACD/LogD (pH 5.5): -7.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 226 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 97.1±5.0 dyne/cm
Molar Volume: 214.5±5.0 cm3

Click to predict properties on the Chemicalize site


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