ChemSpider 2D Image | (3beta,5xi,9xi,16beta)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranoside | C54H88O22

(3β,5ξ,9ξ,16β)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside

  • Molecular FormulaC54H88O22
  • Average mass1089.263 Da
  • Monoisotopic mass1088.576782 Da
  • ChemSpider ID22913582

  • defined stereocentres - 29 of 31 defined stereocentres

More details:

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

(3β,5ξ,9ξ,16β)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,9ξ,16β)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[6-desoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside de (3β,5ξ,9ξ,16β)-16,23-dihydroxy-13,28-époxyoléan-11-én-3-y
 le [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5ξ,9ξ,16β)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[O-6-deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->
 3)]- [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: 1.637
Molar Refractivity: 266.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.61
ACD/KOC (pH 5.5): 717.46
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.60
ACD/KOC (pH 7.4): 717.46
Polar Surface Area: 346 Å2
Polarizability: 105.7±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 742.8±5.0 cm3

Click to predict properties on the Chemicalize site


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