ChemSpider 2D Image | MFCD24849391 | C36H58O11

MFCD24849391

  • Molecular FormulaC36H58O11
  • Average mass666.839 Da
  • Monoisotopic mass666.397888 Da
  • ChemSpider ID23340057

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

149475-28-5 [RN]
1-O-[(2α,3β,6β)-2,3,6,23-Tetrahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β,6β)-2,3,6,23-Tetrahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β,6β)-2,3,6,23-Tétrahydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
chebuloside II
MFCD24849391
β-D-Glucopyranose, 1-O-[(2α,3β,6β)-2,3,6,23-tetrahydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL391767/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 773.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 234.3±26.4 °C
Index of Refraction: 1.616
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 344.78
ACD/KOC (pH 5.5): 2280.23
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 344.78
ACD/KOC (pH 7.4): 2280.20
Polar Surface Area: 197 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 491.8±5.0 cm3

Click to predict properties on the Chemicalize site


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