ChemSpider 2D Image | (3beta,5xi,18alpha)-23-Hydroxy-3-(beta-D-xylopyranosyloxy)olean-12-ene-28,29-dioic acid | C35H54O10

(3β,5ξ,18α)-23-Hydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioic acid

  • Molecular FormulaC35H54O10
  • Average mass634.797 Da
  • Monoisotopic mass634.371704 Da
  • ChemSpider ID170930

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(3β,5ξ,18α)-23-Hydroxy-3-(β-D-xylopyranosyloxy)olean-12-en-28,29-disäure [German] [ACD/IUPAC Name]
(3β,5ξ,18α)-23-Hydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioic acid [ACD/IUPAC Name]
Acide (3β,5ξ,18α)-23-hydroxy-3-(β-D-xylopyranosyloxy)oléan-12-ène-28,29-dioïque [French] [ACD/IUPAC Name]
Olean-12-ene-28,29-dioic acid, 23-hydroxy-3-(β-D-xylopyranosyloxy)-, (3β,5ξ,18α)- [ACD/Index Name]
139198-58-6 [RN]
3-O-β-D-Xylopyransoyl-esculenic acid
Esculentoside O

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

Density: 1.3±0.1 g/cm3
Boiling Point: 783.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.8±6.0 kJ/mol
Flash Point: 241.6±26.4 °C
Index of Refraction: 1.606
Molar Refractivity: 164.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 137.63
ACD/KOC (pH 5.5): 349.17
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 476.3±5.0 cm3

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