ChemSpider 2D Image | (5xi,9xi)-3-{[2-O-(beta-D-Glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid | C41H66O13

(5ξ,9ξ)-3-{[2-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC41H66O13
  • Average mass766.955 Da
  • Monoisotopic mass766.450317 Da
  • ChemSpider ID22913505

  • defined stereocentres - 15 of 18 defined stereocentres

More details:

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

(5ξ,9ξ)-3-{[2-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(5ξ,9ξ)-3-{[2-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (5ξ,9ξ)-3-{[2-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxy-, (5ξ,9ξ)- [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: 881.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.6±6.0 kJ/mol
Flash Point: 260.9±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 201.91
ACD/KOC (pH 5.5): 850.03
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 3.18
ACD/KOC (pH 7.4): 13.38
Polar Surface Area: 216 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 566.0±5.0 cm3

Click to predict properties on the Chemicalize site


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