ChemSpider 2D Image | (3beta)-28-Hydroxylup-20(29)-en-3-yl beta-D-xylopyranoside | C35H58O6

(3β)-28-Hydroxylup-20(29)-en-3-yl β-D-xylopyranoside

  • Molecular FormulaC35H58O6
  • Average mass574.831 Da
  • Monoisotopic mass574.423340 Da
  • ChemSpider ID23297669

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β)-28-Hydroxylup-20(29)-en-3-yl β-D-xylopyranoside [ACD/IUPAC Name]
(3β)-28-Hydroxylup-20(29)-en-3-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de (3β)-28-hydroxylup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β)-28-hydroxylup-20(29)-en-3-yl [ACD/Index Name]
betulin 3β-O-β-D-xylopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL397147/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 350.0±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 160.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.29
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 151501.88
ACD/KOC (pH 5.5): 177713.38
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 151501.05
ACD/KOC (pH 7.4): 177712.39
Polar Surface Area: 99 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 491.3±5.0 cm3

Click to predict properties on the Chemicalize site


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