ChemSpider 2D Image | beta-L-Xylopyranosyl-(1->4)-6-deoxy-alpha-D-mannopyranosyl-(1->2)-1-O-[(2alpha,3alpha,5xi,8alpha,9xi,10alpha,14beta,17alpha,18alpha)-3-(beta-L-glucopyranuronosyloxy)-2,24-dihydroxy-24,28-dioxoolean-12 -en-28-yl]-alpha-D-arabinopyranose | C52H80O24

β-L-Xylopyranosyl-(1->4)-6-deoxy-α-D-mannopyranosyl-(1->2)-1-O-[(2α,3α,5ξ,8α,9ξ,10α,14β,17α,18α)-3-(β-L-glucopyranuronosyloxy)-2,24-dihydroxy-24,28-dioxoolean-12 -en-28-yl]-α-D-arabinopyranose

  • Molecular FormulaC52H80O24
  • Average mass1089.177 Da
  • Monoisotopic mass1088.503906 Da
  • ChemSpider ID113600623

  • defined stereocentres - 26 of 28 defined stereocentres

More details:

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

α-D-Arabinopyranose, O-β-L-xylopyranosyl-(1->4)-O-6-deoxy-α-D-mannopyranosyl-(1->2)-1-O-[(2α,3α,5ξ,8α,9ξ,10α,14β,17α,18α)-3-(β-L-glucopyranuronosyloxy)-2,24- 
dihydroxy-24,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]
β-L-Xylopyranosyl-(1->4)-6-deoxy-α-D-mannopyranosyl-(1->2)-1-O-[(2α,3α,5ξ,8α,9ξ,10α,14β,17α,18α)-3-(β-L-glucopyranuronosyloxy)-2,24-dihydroxy-24,28-dioxoolean-12 ; -en-28-yl]-α-D-arabinopyranose [ACD/IUPAC Name]
β-L-Xylopyranosyl-(1->4)-6-desoxy-α-D-mannopyranosyl-(1->2)-1-O-[(2α,3α,5ξ,8α,9ξ,10α,14β,17α,18α)-3-(β-L-glucopyranuronosyloxy)-2,24-dihydroxy-24,28-dioxoolean-1 ; 2-en-28-yl]-α-D-arabinopyranose [German] [ACD/IUPAC Name]
β-L-Xylopyranosyl-(1->4)-6-désoxy-α-D-mannopyranosyl-(1->2)-1-O-[(2α,3α,5ξ,8α,9ξ,10α,14β,17α,18α)-3-(β-L-glucopyranuronosyloxy)-2,24-dihydroxy-24,28-dioxooléan-1 ; 2-én-28-yl]-α-D-arabinopyranose [French] [ACD/IUPAC 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: 1.644
Molar Refractivity: 257.9±0.4 cm3
#H bond acceptors: 24
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 388 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 85.0±5.0 dyne/cm
Molar Volume: 712.1±5.0 cm3

Click to predict properties on the Chemicalize site


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