ChemSpider 2D Image | (3beta,21beta,22beta)-22-(alpha-L-Arabinopyranosyloxy)-21,24,29-trihydroxyolean-12-en-3-yl methyl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->2)-beta-D-glucopyranosiduronate | C53H86O23

(3β,21β,22β)-22-(α-L-Arabinopyranosyloxy)-21,24,29-trihydroxyolean-12-en-3-yl methyl 6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->2)-β-D-glucopyranosiduronate

  • Molecular FormulaC53H86O23
  • Average mass1091.236 Da
  • Monoisotopic mass1090.556030 Da
  • ChemSpider ID9403624

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

(3β,21β,22β)-22-(α-L-Arabinopyranosyloxy)-21,24,29-trihydroxyolean-12-en-3-yl methyl 6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->2)-β-D-glucopyranosiduronate [ACD/IUPAC Name]
(3β,21β,22β)-22-(α-L-Arabinopyranosyloxy)-21,24,29-trihydroxyolean-12-en-3-yl-methyl-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->2)-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (3β,21β,22β)-22-(α-L-arabinopyranosyloxy)-21,24,29-trihydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-α-L-arabinopyranosyl-(1->2)-, 
 methyl ester [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: 1.631
Molar Refractivity: 264.0±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 577.31
ACD/KOC (pH 5.5): 3295.64
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 577.30
ACD/KOC (pH 7.4): 3295.61
Polar Surface Area: 363 Å2
Polarizability: 104.7±0.5 10-24cm3
Surface Tension: 79.1±5.0 dyne/cm
Molar Volume: 741.2±5.0 cm3

Click to predict properties on the Chemicalize site


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