ChemSpider 2D Image | (3xi)-1,3,4-Tri-O-acetyl-2,6-anhydro-5-deoxy-D-threo-hex-5-enitol | C12H16O7

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

  • Molecular FormulaC12H16O7
  • Average mass272.251 Da
  • Monoisotopic mass272.089600 Da
  • ChemSpider ID31043486

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3ξ)-1,3,4-Tri-O-acetyl-2,6-anhydro-5-deoxy-D-threo-hex-5-enitol [ACD/IUPAC Name]
(3ξ)-1,3,4-Tri-O-acetyl-2,6-anhydro-5-desoxy-D-threo-hex-5-enitol [German] [ACD/IUPAC Name]
(3ξ)-1,3,4-Tri-O-acétyl-2,6-anhydro-5-désoxy-D-thréo-hex-5-énitol [French] [ACD/IUPAC Name]
D-threo-Hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate, (3ξ)- [ACD/Index Name]
3,4,6-Tri-O-acetyl-D-galactal
4098-06-0 [RN]
Tri-O-acetyl-D-glucal

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

Density: 1.2±0.1 g/cm3
Boiling Point: 343.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 149.2±27.9 °C
Index of Refraction: 1.484
Molar Refractivity: 62.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 48.97
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.61
ACD/KOC (pH 7.4): 48.97
Polar Surface Area: 88 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 219.3±5.0 cm3

Click to predict properties on the Chemicalize site


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