ChemSpider 2D Image | 1,3,4,6-Tetra-O-acetyl-2-deoxy-2-[(trifluoroacetyl)amino]-alpha-D-gulopyranose | C16H20F3NO10

1,3,4,6-Tetra-O-acetyl-2-deoxy-2-[(trifluoroacetyl)amino]-α-D-gulopyranose

  • Molecular FormulaC16H20F3NO10
  • Average mass443.326 Da
  • Monoisotopic mass443.103943 Da
  • ChemSpider ID22903537

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1,3,4,6-Tetra-O-acetyl-2-deoxy-2-[(trifluoroacetyl)amino]-α-D-gulopyranose [ACD/IUPAC Name]
1,3,4,6-Tétra-O-acétyl-2-désoxy-2-[(2,2,2-trifluoroacétyl)amino]-α-D-gulopyranose [French] [ACD/IUPAC Name]
1,3,4,6-Tetra-O-acetyl-2-desoxy-2-[(trifluoracetyl)amino]-α-D-gulopyranose [German] [ACD/IUPAC Name]
α-D-Gulopyranose, 2-deoxy-2-[(2,2,2-trifluoroacetyl)amino]-, 1,3,4,6-tetraacetate [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 495.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.3±28.7 °C
Index of Refraction: 1.467
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.21
ACD/KOC (pH 5.5): 80.18
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.89
ACD/KOC (pH 7.4): 72.08
Polar Surface Area: 144 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 314.7±5.0 cm3

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