ChemSpider 2D Image | (3beta,5xi,13alpha,16beta,17alpha)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->3)-6-deoxy-beta-D-galactopyranoside | C48H78O17

(3β,5ξ,13α,16β,17α)-16,23-Dihydroxy-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 FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID8923691

  • defined stereocentres - 25 of 26 defined stereocentres

More details:

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

(3β,5ξ,13α,16β,17α)-16,23-Dihydroxy-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,16β,17α)-16,23-Dihydroxy-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,16β,17α)-16,23-dihydroxy-13,28-époxyoléan-11-én-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,5ξ,13α,16β,17α)-13,28-epoxy-16,23-dihydroxyolean-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: 1.624
Molar Refractivity: 233.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 272.77
ACD/KOC (pH 5.5): 1926.94
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 272.77
ACD/KOC (pH 7.4): 1926.94
Polar Surface Area: 267 Å2
Polarizability: 92.4±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 660.1±5.0 cm3

Click to predict properties on the Chemicalize site


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