ChemSpider 2D Image | Quadranoside II | C36H58O11

Quadranoside II

  • Molecular FormulaC36H58O11
  • Average mass666.839 Da
  • Monoisotopic mass666.397888 Da
  • ChemSpider ID8570112

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

1-O-[(2α,3β,6β)-2,3,6,23-Tetrahydroxy-28-oxolup-20(29)-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β,6β)-2,3,6,23-Tetrahydroxy-28-oxolup-20(29)-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β,6β)-2,3,6,23-Tétrahydroxy-28-oxolup-20(29)-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Quadranoside II
β-D-Glucopyranose, 1-O-[(2α,3β,6β)-2,3,6,23-tetrahydroxy-28-oxolup-20(29)-en-28-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL502086/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 771.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.0±6.0 kJ/mol
Flash Point: 233.3±26.4 °C
Index of Refraction: 1.611
Molar Refractivity: 171.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 53.11
ACD/KOC (pH 5.5): 597.70
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 53.11
ACD/KOC (pH 7.4): 597.69
Polar Surface Area: 197 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 494.6±5.0 cm3

Click to predict properties on the Chemicalize site


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