ChemSpider 2D Image | (2beta,3beta,5xi,18alpha)-2,23-Dihydroxy-3-(beta-D-xylopyranosyloxy)olean-12-ene-28,29-dioic acid | C35H54O11

(2β,3β,5ξ,18α)-2,23-Dihydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioic acid

  • Molecular FormulaC35H54O11
  • Average mass650.797 Da
  • Monoisotopic mass650.366638 Da
  • ChemSpider ID113710

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(2β,3β,5ξ,18α)-2,23-Dihydroxy-3-(β-D-xylopyranosyloxy)olean-12-en-28,29-disäure [German] [ACD/IUPAC Name]
(2β,3β,5ξ,18α)-2,23-Dihydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioic acid [ACD/IUPAC Name]
Acide (2β,3β,5ξ,18α)-2,23-dihydroxy-3-(β-D-xylopyranosyloxy)oléan-12-ène-28,29-dioïque [French] [ACD/IUPAC Name]
Olean-12-ene-28,29-dioic acid, 2,23-dihydroxy-3-(β-D-xylopyranosyloxy)-, (2β,3β,5ξ,18α)- [ACD/Index Name]
(2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
(2R,4AR,6AS,6BR,9R,10R,11S,12AR,12BR,14BR)-11-HYDROXY-9-(HYDROXYMETHYL)-2,6A,6B,9,12A-PENTAMETHYL-10-{[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYOXAN-2-YL]OXY}-1,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDROPICENE-2,4A-DICARBOXYLIC ACID
65649-36-7 [RN]
Esculentoside E
Olean-12-ene-28,29-dioic acid, 2,23-dihydroxy-3-(β-D-xylopyranosyloxy)-, (2β,3β,4α,20β)-
Phytolaccoside G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 814.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.7±6.0 kJ/mol
Flash Point: 251.7±27.8 °C
Index of Refraction: 1.617
Molar Refractivity: 165.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 25.06
ACD/KOC (pH 5.5): 102.05
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 474.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement