ChemSpider 2D Image | 3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,6beta,16alpha)-3-(beta-D-glucopyranosyloxy)-2,6 ,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose | C57H92O28

3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β,16α)-3-(β-D-glucopyranosyloxy)-2,6 ,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose

  • Molecular FormulaC57H92O28
  • Average mass1225.324 Da
  • Monoisotopic mass1224.577515 Da
  • ChemSpider ID95601246

  • defined stereocentres - 33 of 33 defined stereocentres

More details:

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

3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β,16α)-3-(β-D-glucopyranosyloxy)-2,6 
,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β,16α)-3-(β-D-glucopyranosyloxy)-2, 
6,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β,16α)-3-(β-D-glucopyranosyloxy)-2, 
6,16,23-tétrahydroxy-28-oxooléan-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]
α-L-Arabinopyranose, O-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,6β,16α)-3- 
(β-D-glucopyranosyloxy)-2,6,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 288.3±0.4 cm3
#H bond acceptors: 28
#H bond donors: 17
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.38
Polar Surface Area: 453 Å2
Polarizability: 114.3±0.5 10-24cm3
Surface Tension: 91.5±5.0 dyne/cm
Molar Volume: 782.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement