ChemSpider 2D Image | Quadranoside I | C36H58O10

Quadranoside I

  • Molecular FormulaC36H58O10
  • Average mass650.840 Da
  • Monoisotopic mass650.403015 Da
  • ChemSpider ID8592259

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

1-O-[(2α,3β,6β)-2,3,6-Trihydroxy-28-oxolup-20(29)-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β,6β)-2,3,6-Trihydroxy-28-oxolup-20(29)-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β,6β)-2,3,6-Trihydroxy-28-oxolup-20(29)-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Quadranoside I
β-D-Glucopyranose, 1-O-[(2α,3β,6β)-2,3,6-trihydroxy-28-oxolup-20(29)-en-28-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510768/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 222.1±26.4 °C
Index of Refraction: 1.600
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 347.00
ACD/KOC (pH 5.5): 2290.72
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 346.99
ACD/KOC (pH 7.4): 2290.69
Polar Surface Area: 177 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 497.4±5.0 cm3

Click to predict properties on the Chemicalize site


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