ChemSpider 2D Image | Methyl 2,3,4-tris-O-(2,2-dimethylpropanoyl)-beta-D-xylopyranoside | C21H36O8

Methyl 2,3,4-tris-O-(2,2-dimethylpropanoyl)-β-D-xylopyranoside

  • Molecular FormulaC21H36O8
  • Average mass416.506 Da
  • Monoisotopic mass416.241028 Da
  • ChemSpider ID21173976

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,3,4-Tris-O-(2,2-diméthylpropanoyl)-β-D-xylopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2,3,4-tris-O-(2,2-dimethylpropanoyl)-β-D-xylopyranoside [ACD/IUPAC Name]
Methyl-2,3,4-tris-O-(2,2-dimethylpropanoyl)-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside, methyl, tris(2,2-dimethylpropanoate) [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458294/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 435.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 182.7±28.8 °C
Index of Refraction: 1.472
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 789.93
ACD/KOC (pH 5.5): 4127.56
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 789.93
ACD/KOC (pH 7.4): 4127.56
Polar Surface Area: 97 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 379.7±5.0 cm3

Click to predict properties on the Chemicalize site


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