ChemSpider 2D Image | (6S)-2,6-Anhydro-1-deoxy-3,4,5-tris-O-(2,2-dimethylpropanoyl)-6-{[(1R)-2-oxocyclohexyl]methyl}-D-galactitol | C28H46O8

(6S)-2,6-Anhydro-1-deoxy-3,4,5-tris-O-(2,2-dimethylpropanoyl)-6-{[(1R)-2-oxocyclohexyl]methyl}-D-galactitol

  • Molecular FormulaC28H46O8
  • Average mass510.660 Da
  • Monoisotopic mass510.319275 Da
  • ChemSpider ID26583375

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6S)-2,6-Anhydro-1-deoxy-3,4,5-tris-O-(2,2-dimethylpropanoyl)-6-{[(1R)-2-oxocyclohexyl]methyl}-D-galactitol [ACD/IUPAC Name]
(6S)-2,6-Anhydro-1-desoxy-3,4,5-tris-O-(2,2-dimethylpropanoyl)-6-{[(1R)-2-oxocyclohexyl]methyl}-D-galactitol [German] [ACD/IUPAC Name]
(6S)-2,6-Anhydro-1-désoxy-3,4,5-tris-O-(2,2-diméthylpropanoyl)-6-{[(1R)-2-oxocyclohexyl]méthyl}-D-galactitol [French] [ACD/IUPAC Name]
L-glycero-D-galacto-Heptitol, 2,6-anhydro-1,7-dideoxy-7-[(1R)-2-oxocyclohexyl]-, tris(2,2-dimethylpropanoate) [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 542.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 224.7±28.2 °C
Index of Refraction: 1.491
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9010.82
ACD/KOC (pH 5.5): 23572.75
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9010.82
ACD/KOC (pH 7.4): 23572.75
Polar Surface Area: 105 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 465.7±5.0 cm3

Click to predict properties on the Chemicalize site


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