ChemSpider 2D Image | (3beta,5xi,18xi)-23,28-Dihydroxy-28-oxolup-20(29)-en-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranosiduronic acid | C41H64O14

(3β,5ξ,18ξ)-23,28-Dihydroxy-28-oxolup-20(29)-en-3-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranosiduronic acid

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID8708650
  • defined stereocentres - 18 of 20 defined stereocentres


More details:






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

(3β,5ξ,18ξ)-23,28-Dihydroxy-28-oxolup-20(29)-en-3-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,5ξ,18ξ)-23,28-Dihydroxy-28-oxolup-20(29)-en-3-yl-2-O-β-D-xylopyranosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-O-β-D-xylopyranosyl-β-D-glucopyranosiduronique de (3β,5ξ,18ξ)-23,28-dihydroxy-28-oxolup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 23-hydroxy-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranuronosyl)oxy]-, (3β,5ξ,18ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 905.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.5±6.0 kJ/mol
Flash Point: 268.8±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 196.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.01
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 565.4±5.0 cm3

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