ChemSpider 2D Image | (1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(2,5-dimethoxyphenyl)-D-galactitol | C22H28O11

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(2,5-dimethoxyphenyl)-D-galactitol

  • Molecular FormulaC22H28O11
  • Average mass468.451 Da
  • Monoisotopic mass468.163147 Da
  • ChemSpider ID26584617

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(2,5-dimethoxyphenyl)-D-galactitol [German] [ACD/IUPAC Name]
(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(2,5-dimethoxyphenyl)-D-galactitol [ACD/IUPAC Name]
(1S)-2,3,4,6-Tétra-O-acétyl-1,5-anhydro-1-(2,5-diméthoxyphényl)-D-galactitol [French] [ACD/IUPAC Name]
D-Galactitol, 1,5-anhydro-1-C-(2,5-dimethoxyphenyl)-, tetraacetate, (1S)- [ACD/Index Name]
[(2R,3S,4R,5S,6S)-3,4,5-tris(acetyloxy)-6-(2,5-dimethoxyphenyl)oxan-2-yl]methyl acetate
189281-89-8 [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: 531.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 227.3±30.2 °C
Index of Refraction: 1.522
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.76
ACD/KOC (pH 5.5): 799.65
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 79.76
ACD/KOC (pH 7.4): 799.65
Polar Surface Area: 133 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 364.9±5.0 cm3

Click to predict properties on the Chemicalize site


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