ChemSpider 2D Image | (5xi,9xi,18xi)-24-Hydroxy-22-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]olean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid | C54H84O21

(5ξ,9ξ,18ξ)-24-Hydroxy-22-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]olean-12-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosiduronic acid

  • Molecular FormulaC54H84O21
  • Average mass1069.232 Da
  • Monoisotopic mass1068.550537 Da
  • ChemSpider ID8030535

  • defined stereocentres - 20 of 26 defined stereocentres

More details:

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

(5ξ,9ξ,18ξ)-24-Hydroxy-22-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]olean-12-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->;2)-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(5ξ,9ξ,18ξ)-24-Hydroxy-22-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]olean-12-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosiduronsä ure [German] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[[(5ξ,9ξ,18ξ)-3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-β-D-galactopyranosyl-(1->2)-β-D-glucopyranuronosyl]oxy]-24-hydroxyolean-12-en-22-yl]oxy]-2,3-dihydro-5-hydroxy-6- methyl- [ACD/Index Name]
Acide 6-désoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosiduronique de (5ξ,9ξ,18ξ)-24-hydroxy-22-[(5-hydroxy-6-méthyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]oléan -12-én-3-yle [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 263.5±0.4 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 9.83
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 78.06
ACD/KOC (pH 5.5): 134.29
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 13.42
Polar Surface Area: 331 Å2
Polarizability: 104.5±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 745.0±5.0 cm3

Click to predict properties on the Chemicalize site


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