ChemSpider 2D Image | (2xi)-1,3,4,5-Tetra-O-acetyl-2,6-anhydro-D-threo-hex-5-enitol | C14H18O9

(2ξ)-1,3,4,5-Tetra-O-acetyl-2,6-anhydro-D-threo-hex-5-enitol

  • Molecular FormulaC14H18O9
  • Average mass330.287 Da
  • Monoisotopic mass330.095093 Da
  • ChemSpider ID29788137

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2ξ)-1,3,4,5-Tetra-O-acetyl-2,6-anhydro-D-threo-hex-5-enitol [German] [ACD/IUPAC Name]
(2ξ)-1,3,4,5-Tetra-O-acetyl-2,6-anhydro-D-threo-hex-5-enitol [ACD/IUPAC Name]
(2ξ)-1,3,4,5-Tétra-O-acétyl-2,6-anhydro-D-thréo-hex-5-énitol [French] [ACD/IUPAC Name]
D-threo-Hex-5-enitol, 2,6-anhydro-, tetraacetate, (2ξ)- [ACD/Index Name]
1-Deoxy-D-gluco-hex-1-enopyranose tetraacetate
2,3,4,6-Tetra-O-acetyl-1-deoxy-D-arabino-hex-1-enopyranose
2,3,4,6-Tetra-O-acetyl-2-hydroxy-D-glucal
3366-47-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 375.8±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 162.7±24.9 °C
Index of Refraction: 1.490
Molar Refractivity: 73.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.25
ACD/KOC (pH 5.5): 80.87
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.25
ACD/KOC (pH 7.4): 80.87
Polar Surface Area: 114 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 254.7±5.0 cm3

Click to predict properties on the Chemicalize site


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