ChemSpider 2D Image | 6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-allopyranosyl-(1->6)-1-O-[(3beta,5beta,8alpha,14beta)-3-{[2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxolup-20(29)-en -28-yl]-beta-D-glucopyranose | C59H96O26

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-allopyranosyl-(1->6)-1-O-[(3β,5β,8α,14β)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxolup-20(29)-en -28-yl]-β-D-glucopyranose

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID114815854

  • defined stereocentres - 35 of 35 defined stereocentres

More details:

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

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-allopyranosyl-(1->6)-1-O-[(3β,5β,8α,14β)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxolup-20(29)-en -28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->4)-β-D-allopyranosyl-(1->6)-1-O-[(3β,5β,8α,14β)-3-{[2-O-(6-desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxolup-20(29)- en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-β-D-allopyranosyl-(1->6)-1-O-[(3β,5β,8α,14β)-3-{[2-O-(6-désoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxolup-20(29)- én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-β-D-allopyranosyl-(1->6)-1-O-[(3β,5β,8α,14β)-3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-h ydroxy-28-oxolup-20(29)-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: 1.634
Molar Refractivity: 294.3±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.73
ACD/KOC (pH 5.5): 202.71
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.73
ACD/KOC (pH 7.4): 202.71
Polar Surface Area: 413 Å2
Polarizability: 116.7±0.5 10-24cm3
Surface Tension: 81.0±5.0 dyne/cm
Molar Volume: 823.0±5.0 cm3

Click to predict properties on the Chemicalize site


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