ChemSpider 2D Image | 6-Deoxy-alpha-L-mannopyranosyl-(1->4)-6-O-acetyl-beta-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[2-O-(beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-6a,6b,9,9,12a-pe ntamethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]carbonyl}-beta-D-glucopyranose | C60H94O27

6-Deoxy-α-L-mannopyranosyl-(1->4)-6-O-acetyl-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[2-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}-6a,6b,9,9,12a-pe ntamethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]carbonyl}-β-D-glucopyranose

  • Molecular FormulaC60H94O27
  • Average mass1247.372 Da
  • Monoisotopic mass1246.598267 Da
  • ChemSpider ID10168050

  • defined stereocentres - 32 of 32 defined stereocentres

More details:

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

6-Deoxy-α-L-mannopyranosyl-(1->4)-6-O-acetyl-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[2-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}-6a,6b,9,9,12a-pe ntamethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]carbonyl}-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->4)-6-O-acetyl-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[2-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}-6a,6b,9,9,12a-p entamethyl-2-methylen-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]carbonyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-6-O-acétyl-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[2-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}-6a,6b,9,9,12a-p entaméthyl-2-méthylène-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadécahydro-4a(2H)-picényl]carbonyl}-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-6-O-acetyl-β-D-glucopyranosyl-(1->6)-1-O-[[(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranos
 yl)oxy]-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-6a,6b,9,9,12a-pentamethyl-2-methylene-4a(2H)-picenyl]carbonyl]- [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: 1.634
Molar Refractivity: 299.0±0.4 cm3
#H bond acceptors: 27
#H bond donors: 14
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.34
ACD/KOC (pH 5.5): 311.05
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.34
ACD/KOC (pH 7.4): 311.05
Polar Surface Area: 419 Å2
Polarizability: 118.5±0.5 10-24cm3
Surface Tension: 80.6±5.0 dyne/cm
Molar Volume: 836.1±5.0 cm3

Click to predict properties on the Chemicalize site


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