ChemSpider 2D Image | (3aS,5S,6S,7R,7aR)-5-Fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol | C8H12FNO5

(3aS,5S,6S,7R,7aR)-5-Fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol

  • Molecular FormulaC8H12FNO5
  • Average mass221.183 Da
  • Monoisotopic mass221.069946 Da
  • ChemSpider ID25057458

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,5S,6S,7R,7aR)-5-Fluor-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6,7-diol [German] [ACD/IUPAC Name]
(3aS,5S,6S,7R,7aR)-5-Fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol [ACD/IUPAC Name]
(3aS,5S,6S,7R,7aR)-5-Fluoro-5-(hydroxyméthyl)-2-méthyl-5,6,7,7a-tétrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol [French] [ACD/IUPAC Name]
5H-Pyrano[3,2-d]oxazole-6,7-diol, 5-fluoro-3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-2-methyl-, (3aS,5S,6S,7R,7aR)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 403.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.6±6.0 kJ/mol
Flash Point: 197.6±28.7 °C
Index of Refraction: 1.625
Molar Refractivity: 42.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.81
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.99
Polar Surface Area: 92 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 121.3±7.0 cm3

Click to predict properties on the Chemicalize site


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