ChemSpider 2D Image | (5xi,9xi,18xi)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-xylopyranosyl]oxy}-27-hydroxyolean-12-en-28-oic acid | C47H76O17

(5ξ,9ξ,18ξ)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-xylopyranosyl]oxy}-27-hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC47H76O17
  • Average mass913.096 Da
  • Monoisotopic mass912.508240 Da
  • ChemSpider ID8163925

  • defined stereocentres - 18 of 22 defined stereocentres

More details:

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

(5ξ,9ξ,18ξ)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-xylopyranosyl]oxy}-27-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(5ξ,9ξ,18ξ)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-xylopyranosyl]oxy}-27-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (5ξ,9ξ,18ξ)-3-{[6-désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-xylopyranosyl]oxy}-27-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]-β-D-xylopyranosyl]oxy]-27-hydroxy-, (5ξ,9ξ,18ξ)- [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: 999.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.2±6.0 kJ/mol
Flash Point: 286.0±27.8 °C
Index of Refraction: 1.619
Molar Refractivity: 228.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 100.19
ACD/KOC (pH 5.5): 490.96
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 7.72
Polar Surface Area: 275 Å2
Polarizability: 90.6±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 652.0±5.0 cm3

Click to predict properties on the Chemicalize site


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