ChemSpider 2D Image | Quadranoside V | C36H56O11

Quadranoside V

  • Molecular FormulaC36H56O11
  • Average mass664.823 Da
  • Monoisotopic mass664.382263 Da
  • ChemSpider ID8502532
  • defined stereocentres - 16 of 16 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-oxoursa-12,18-dien-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β,6β)-2,3,6,23-Tetrahydroxy-28-oxoursa-12,18-dien-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β,6β)-2,3,6,23-Tétrahydroxy-28-oxoursa-12,18-dién-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Quadranoside V
β-D-Glucopyranose, 1-O-[(2α,3β,6β)-2,3,6,23-tetrahydroxy-28-oxoursa-12,18-dien-28-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL500700/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 795.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 242.7±26.4 °C
Index of Refraction: 1.625
Molar Refractivity: 171.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 433.70
ACD/KOC (pH 5.5): 2687.20
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.69
ACD/KOC (pH 7.4): 2687.17
Polar Surface Area: 197 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 484.4±5.0 cm3

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