ChemSpider 2D Image | 1-O-[(3beta)-3-Hydroxy-28-oxolup-20(29)-en-28-yl]-beta-D-glucopyranose | C36H58O8

1-O-[(3β)-3-Hydroxy-28-oxolup-20(29)-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC36H58O8
  • Average mass618.841 Da
  • Monoisotopic mass618.413147 Da
  • ChemSpider ID8921748

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

1-O-[(3β)-3-Hydroxy-28-oxolup-20(29)-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3-Hydroxy-28-oxolup-20(29)-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3-Hydroxy-28-oxolup-20(29)-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β)-3-hydroxy-28-oxolup-20(29)-en-28-yl]- [ACD/Index Name]
22333-85-3 [RN]
28-O-??-D-glucopyranosyl 3??-hydroxy-lup-20(29)-en-28-oate
28-O-β-D-glucopyranosyl 3β-hydroxy-lup-20(29)-en-28-oate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL501076/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 694.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 208.0±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 167.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22868.75
ACD/KOC (pH 5.5): 45912.56
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22868.45
ACD/KOC (pH 7.4): 45911.96
Polar Surface Area: 137 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 501.8±5.0 cm3

Click to predict properties on the Chemicalize site


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