ChemSpider 2D Image | 5-Fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidinedione | C8H9FN2O4S

5-Fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC8H9FN2O4S
  • Average mass248.232 Da
  • Monoisotopic mass248.026703 Da
  • ChemSpider ID34526640

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]- [ACD/Index Name]
5-Fluor-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-Fluoro-1-[(2S,5S)-2-(hydroxyméthyl)-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
149819-47-6 [RN]
Oxathiolan, 5FU-(-).a.
Oxathiolan, 5FU-(-)-α

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 53.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.53
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.59
Polar Surface Area: 104 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 149.6±5.0 cm3

Click to predict properties on the Chemicalize site


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