ChemSpider 2D Image | 6-Fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-7-ol | C8H12FNO4

6-Fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-7-ol

  • Molecular FormulaC8H12FNO4
  • Average mass205.184 Da
  • Monoisotopic mass205.075043 Da
  • ChemSpider ID26504266

More details:






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

5H-Pyrano[3,2-d]oxazole-5-methanol, 6-fluoro-3a,6,7,7a-tetrahydro-7-hydroxy-2-methyl- [ACD/Index Name]
6-Fluor-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-7-ol [German] [ACD/IUPAC Name]
6-Fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-7-ol [ACD/IUPAC Name]
6-Fluoro-5-(hydroxyméthyl)-2-méthyl-5,6,7,7a-tétrahydro-3aH-pyrano[3,2-d][1,3]oxazol-7-ol [French] [ACD/IUPAC Name]
14338-01-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 379.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.5±6.0 kJ/mol
Flash Point: 183.1±27.9 °C
Index of Refraction: 1.617
Molar Refractivity: 41.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.72
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.10
Polar Surface Area: 71 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 118.6±7.0 cm3

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