ChemSpider 2D Image | 4-(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)phenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C28H34N2O11

4-(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC28H34N2O11
  • Average mass574.576 Da
  • Monoisotopic mass574.216248 Da
  • ChemSpider ID58116309

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)phényle [French] [ACD/IUPAC Name]
4-(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)phenyl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)phenyl, 2,3,4,6-tetraacetate [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3339262/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.1±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.31
ACD/KOC (pH 5.5): 1562.40
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 203.31
ACD/KOC (pH 7.4): 1562.40
Polar Surface Area: 163 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 431.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement