ChemSpider 2D Image | 1-O-(3-{[beta-D-Allopyranosyl-(1->2)-[beta-D-allopyranosyl-(1->3)]-beta-D-ribopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)-beta-D-allopyranose | C53H86O23

1-O-(3-{[β-D-Allopyranosyl-(1->2)-[β-D-allopyranosyl-(1->3)]-β-D-ribopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)-β-D-allopyranose

  • Molecular FormulaC53H86O23
  • Average mass1091.236 Da
  • Monoisotopic mass1090.556030 Da
  • ChemSpider ID10142548

  • defined stereocentres - 19 of 28 defined stereocentres

More details:

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

1-O-(3-{[β-D-Allopyranosyl-(1->2)-[β-D-allopyranosyl-(1->3)]-β-D-ribopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)-β-D-allopyranose [ACD/IUPAC Name]
1-O-(3-{[β-D-Allopyranosyl-(1->2)-[β-D-allopyranosyl-(1->3)]-β-D-ribopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)-β-D-allopyranose [German] [ACD/IUPAC Name]
1-O-(3-{[β-D-Allopyranosyl-(1->2)-[β-D-allopyranosyl-(1->3)]-β-D-ribopyranosyl]oxy}-23-hydroxy-28-oxooléan-12-én-28-yl)-β-D-allopyranose [French] [ACD/IUPAC Name]
β-D-Allopyranose, 1-O-[3-[[O-β-D-allopyranosyl-(1->2)-O-[β-D-allopyranosyl-(1->3)]-β-D-ribopyranosyl]oxy]-23-hydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
Aralia-saponin IX

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: 1.641
Molar Refractivity: 263.9±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.79
ACD/KOC (pH 5.5): 122.22
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.79
ACD/KOC (pH 7.4): 122.22
Polar Surface Area: 374 Å2
Polarizability: 104.6±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 731.8±5.0 cm3

Click to predict properties on the Chemicalize site


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