ChemSpider 2D Image | (3beta,5xi,9xi,18xi,22beta)-22-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-3-yl 6-deoxy-alpha-L-talopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta- D-glucopyranosiduronic acid | C59H96O26

(3β,5ξ,9ξ,18ξ,22β)-22-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-3-yl 6-deoxy-α-L-talopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-β- D-glucopyranosiduronic acid

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID9052218

  • defined stereocentres - 31 of 34 defined stereocentres

More details:

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

(3β,5ξ,9ξ,18ξ,22β)-22-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-3-yl 6-deoxy-α-L-talopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-β- D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,5ξ,9ξ,18ξ,22β)-22-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-3-yl-6-desoxy-α-L-talopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-bet 
a-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 6-désoxy-α-L-talopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosiduronique de (3β,5ξ,9ξ,18ξ,22β)-22-{[2-O-(6-désoxy-α-L-mannopyranosyl)-α-L-arabinopyrano syl]oxy}-23-hydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (3β,5ξ,9ξ,18ξ,22β)-22-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-talopyranosyl-(1->2)- O-β-D-galactopyranosyl-(1->2)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 294.5±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 8.80
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 8.53
ACD/KOC (pH 5.5): 27.54
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.78
Polar Surface Area: 413 Å2
Polarizability: 116.7±0.5 10-24cm3
Surface Tension: 81.4±5.0 dyne/cm
Molar Volume: 820.8±5.0 cm3

Click to predict properties on the Chemicalize site


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