ChemSpider 2D Image | 6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6bR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a,14b-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahy dro-4a(2H)-picenyl]carbonyl}-beta-D-glucopyranose | C48H78O17

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6bR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a,14b-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahy dro-4a(2H)-picenyl]carbonyl}-β-D-glucopyranose

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID8899834

  • defined stereocentres - 20 of 23 defined stereocentres

More details:

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

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6bR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a,14b-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahy dro-4a(2H)-picenyl]carbonyl}-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6bR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a,14b-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecah ydro-4a(2H)-picenyl]carbonyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-{[(4aS,6bR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a,14b-heptaméthyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadécah ydro-4a(2H)-picényl]carbonyl}-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-[[(4aS,6bR,10S,12aR,14bS)-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-10-hydroxy-2 ,2,6b,9,9,12a,14b-heptamethyl-4a(2H)-picenyl]carbonyl]- [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: 972.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.6±6.0 kJ/mol
Flash Point: 275.0±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 233.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1827.55
ACD/KOC (pH 5.5): 7519.08
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1827.53
ACD/KOC (pH 7.4): 7519.02
Polar Surface Area: 275 Å2
Polarizability: 92.4±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 668.6±5.0 cm3

Click to predict properties on the Chemicalize site


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