ChemSpider 2D Image | (3beta,5xi,13alpha,16alpha,17alpha,21beta,22alpha,28S)-16,21,22,28-Tetrahydroxy-13,28-epoxyoleanan-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyrano syl-(1->3)-[beta-D-galactopyranosyl-(1->2)]-beta-D-glucopyranosiduronic acid | C60H98O30

(3β,5ξ,13α,16α,17α,21β,22α,28S)-16,21,22,28-Tetrahydroxy-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyrano syl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucopyranosiduronic acid

  • Molecular FormulaC60H98O30
  • Average mass1299.402 Da
  • Monoisotopic mass1298.614258 Da
  • ChemSpider ID9484358

  • defined stereocentres - 36 of 38 defined stereocentres

More details:

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

(3β,5ξ,13α,16α,17α,21β,22α,28S)-16,21,22,28-Tetrahydroxy-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->;2)-6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyrano syl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,5ξ,13α,16α,17α,21β,22α,28S)-16,21,22,28-Tetrahydroxy-13,28-epoxyoleanan-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyra nosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 6-désoxy-α-L-mannopyranosyl-(1->2)-6-désoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucopyranosiduronique de (3β,5ξ,13α,
 16α,17α,21β,22α,28S)-16,21,22,28-tétrahydroxy-13,28-époxyoléanan-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (3β,5ξ,13α,16α,17α,21β,22α,28S)-13,28-epoxy-16,21,22,28-tetrahydroxyoleanan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-6-deoxy-α-L-mann
 opyranosyl-(1->2)-O-β-D-galactopyranosyl-(1->3)-O-[β-D-galactopyranosyl-(1->2)]- [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: 1.658
Molar Refractivity: 303.7±0.4 cm3
#H bond acceptors: 30
#H bond donors: 18
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.50
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 483 Å2
Polarizability: 120.4±0.5 10-24cm3
Surface Tension: 91.7±5.0 dyne/cm
Molar Volume: 824.5±5.0 cm3

Click to predict properties on the Chemicalize site


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