ChemSpider 2D Image | Quadranoside III | C36H58O11

Quadranoside III

  • Molecular FormulaC36H58O11
  • Average mass666.839 Da
  • Monoisotopic mass666.397888 Da
  • ChemSpider ID8502553

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

1-O-[(2α,3β)-2,3,23,29-Tetrahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,23,29-Tetrahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,23,29-Tétrahydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Quadranoside III
β-D-Glucopyranose, 1-O-[(2α,3β)-2,3,23,29-tetrahydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507590/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 778.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.1±6.0 kJ/mol
Flash Point: 235.8±26.4 °C
Index of Refraction: 1.617
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 208.49
ACD/KOC (pH 5.5): 1590.75
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 208.48
ACD/KOC (pH 7.4): 1590.73
Polar Surface Area: 197 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 491.2±5.0 cm3

Click to predict properties on the Chemicalize site


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