ChemSpider 2D Image | (3beta,5xi,13alpha,17alpha)-23-Hydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->3)-6-deoxy-beta-D-galactopyranoside | C48H78O16

(3β,5ξ,13α,17α)-23-Hydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-deoxy-β-D-galactopyranoside

  • Molecular FormulaC48H78O16
  • Average mass911.123 Da
  • Monoisotopic mass910.528992 Da
  • ChemSpider ID8923648

  • defined stereocentres - 24 of 25 defined stereocentres

More details:

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

(3β,5ξ,13α,17α)-23-Hydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-deoxy-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5ξ,13α,17α)-23-Hydroxy-13,28-epoxyolean-11-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-desoxy-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-désoxy-β-D-galactopyranoside de (3β,5ξ,13α,17α)-23-hydroxy-13,28-époxyoléan-11-én-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,5ξ,13α,17α)-13,28-epoxy-23-hydroxyolean-11-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->3)-6-deoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 231.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2492.62
ACD/KOC (pH 5.5): 9389.54
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2492.61
ACD/KOC (pH 7.4): 9389.50
Polar Surface Area: 247 Å2
Polarizability: 91.8±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 662.4±5.0 cm3

Click to predict properties on the Chemicalize site


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