ChemSpider 2D Image | beta-D-Xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,9xi,18xi)-3-(beta-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-L-arabinopyranose | C52H80O24

β-D-Xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-β-L-arabinopyranose

  • Molecular FormulaC52H80O24
  • Average mass1089.177 Da
  • Monoisotopic mass1088.503906 Da
  • ChemSpider ID22912962

  • defined stereocentres - 25 of 28 defined stereocentres

More details:

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

β-D-Xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-β-L-arabinopyranose [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-β-L-arabinopyranose [German] [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxooléan-12-én-28-yl]-β-L-arabinopyranose [French] [ACD/IUPAC Name]
β-L-Arabinopyranose, O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-glucopyranuronosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28- 
yl]- [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: 1.644
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


Advertisement