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Search term: XEQHDAXMIPGGAS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-O-Acetyl-4-O-[(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)acetyl]-2,5-anhydro-1-deoxypentitol | C13H16FN3O6

3-O-Acetyl-4-O-[(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)acetyl]-2,5-anhydro-1-deoxypentitol

  • Molecular FormulaC13H16FN3O6
  • Average mass329.281 Da
  • Monoisotopic mass329.102325 Da
  • ChemSpider ID46755932

More details:

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

3-O-Acetyl-4-O-[(4-amino-5-fluor-2-oxo-1(2H)-pyrimidinyl)acetyl]-2,5-anhydro-1-desoxypentitol [German] [ACD/IUPAC Name]
3-O-Acetyl-4-O-[(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)acetyl]-2,5-anhydro-1-deoxypentitol [ACD/IUPAC Name]
3-O-Acétyl-4-O-[2-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)acétyl]-2,5-anhydro-1-désoxypentitol [French] [ACD/IUPAC Name]
Pentitol, 2,5-anhydro-1-deoxy-, 3-acetate 4-[2-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)acetate] [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 445.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 223.2±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 72.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.04
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.05
Polar Surface Area: 121 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 209.7±7.0 cm3

Click to predict properties on the Chemicalize site


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