ChemSpider 2D Image | (3beta,9xi,18xi,22beta)-22,24-Dihydroxyolean-12-en-3-yl 2-O-beta-L-arabinopyranosyl-beta-D-glucopyranosiduronic acid | C41H66O13

(3β,9ξ,18ξ,22β)-22,24-Dihydroxyolean-12-en-3-yl 2-O-β-L-arabinopyranosyl-β-D-glucopyranosiduronic acid

  • Molecular FormulaC41H66O13
  • Average mass766.955 Da
  • Monoisotopic mass766.450317 Da
  • ChemSpider ID8660721

  • defined stereocentres - 17 of 19 defined stereocentres

More details:

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

(3β,9ξ,18ξ,22β)-22,24-Dihydroxyolean-12-en-3-yl 2-O-β-L-arabinopyranosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,9ξ,18ξ,22β)-22,24-Dihydroxyolean-12-en-3-yl-2-O-β-L-arabinopyranosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-O-β-L-arabinopyranosyl-β-D-glucopyranosiduronique de (3β,9ξ,18ξ,22β)-22,24-dihydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (3β,9ξ,18ξ,22β)-22,24-dihydroxyolean-12-en-3-yl 2-O-β-L-arabinopyranosyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 876.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.8±6.0 kJ/mol
Flash Point: 259.2±27.8 °C
Index of Refraction: 1.610
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 39.40
ACD/KOC (pH 5.5): 73.68
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 5.65
ACD/KOC (pH 7.4): 10.56
Polar Surface Area: 216 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 566.6±5.0 cm3

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