ChemSpider 2D Image | (2R,3S,4R,5R)-6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triyl triacetate | C12H16O8

(2R,3S,4R,5R)-6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triyl triacetate

  • Molecular FormulaC12H16O8
  • Average mass288.251 Da
  • Monoisotopic mass288.084503 Da
  • ChemSpider ID21781550

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(2R,3S,4R,5R)-6,8-Dioxabicyclo[3.2.1]octan-2,3,4-triyl-triacetat [German] [ACD/IUPAC Name]
(2R,3S,4R,5R)-6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triyl triacetate [ACD/IUPAC Name]
Triacétate de (2R,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyle [French] [ACD/IUPAC Name]
1,6-Anhydro-2,3,4-tri-O-acetyl-"β"-D-glucopyranosa
1,6-Anhydro-b-D-glucose triacetate
13242-55-2 [RN]
Acetic acid (2R,5R)-2,4-diacetoxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yl ester
Levoglucosan triacetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 392.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 147.3±27.9 °C
Index of Refraction: 1.494
Molar Refractivity: 62.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.26
ACD/KOC (pH 5.5): 81.15
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.26
ACD/KOC (pH 7.4): 81.15
Polar Surface Area: 97 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 214.5±5.0 cm3

Click to predict properties on the Chemicalize site


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