ChemSpider 2D Image | (3S,6aR,6bS,8aR,12aS,14aR,14bR)-8a-Hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl beta-L-galactopyranosyl-(1->2)-[beta-D-xylop yranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-beta-D-glucopyranosiduronic acid | C52H82O23

(3S,6aR,6bS,8aR,12aS,14aR,14bR)-8a-Hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl β-L-galactopyranosyl-(1->2)-[β-D-xylop yranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-β-D-glucopyranosiduronic acid

  • Molecular FormulaC52H82O23
  • Average mass1075.194 Da
  • Monoisotopic mass1074.524658 Da
  • ChemSpider ID26368422

  • defined stereocentres - 26 of 27 defined stereocentres

More details:

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

(3S,6aR,6bS,8aR,12aS,14aR,14bR)-8a-Hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl β-L-galactopyranosyl-(1->2)-[β-D-xylop yranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3S,6aR,6bS,8aR,12aS,14aR,14bR)-8a-Hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl-β-L-galactopyranosyl-(1->2)-[β-D-xylop yranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
5(1H)-Picenone, 10-[[O-β-L-galactopyranosyl-(1->2)-O-[O-β-D-xylopyranosyl-(1->2)-β-D-galactopyranosyl-(1->;3)]-β-D-glucopyranuronosyl]oxy]-2,3,4,4a,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b- octadecahydro-4a-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-, (4aR,6aS,6bR,10S,12aR,12bR,14bS)- [ACD/Index Name]
Acide β-L-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-β-D-glucopyranosiduronique de (3S,6aR,6bS,8aR,12aS,14aR,14bR)-8a-hydroxy-4,4,6a,6b,11,11,14b-heptam éthyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picényle [French] [ACD/IUPAC 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: 1.640
Molar Refractivity: 257.8±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.90
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 371 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 82.6±5.0 dyne/cm
Molar Volume: 715.5±5.0 cm3

Click to predict properties on the Chemicalize site


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