ChemSpider 2D Image | 6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-{[(1R,5aR,5bR,10R,10aR,10bR,12bR)-1-(carboxymethyl)-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydro-7aH-cyclopenta[7,8]phen anthro[1,2-c]furan-7a-yl]carbonyl}-beta-D-glucopyranose | C48H76O19

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-{[(1R,5aR,5bR,10R,10aR,10bR,12bR)-1-(carboxymethyl)-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydro-7aH-cyclopenta[7,8]phen anthro[1,2-c]furan-7a-yl]carbonyl}-β-D-glucopyranose

  • Molecular FormulaC48H76O19
  • Average mass957.106 Da
  • Monoisotopic mass956.498108 Da
  • ChemSpider ID9847190

  • defined stereocentres - 22 of 25 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-{[(1R,5aR,5bR,10R,10aR,10bR,12bR)-1-(carboxymethyl)-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydro-7aH-cyclopenta[7,8]phen anthro[1,2-c]furan-7a-yl]carbonyl}-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-{[(1R,5aR,5bR,10R,10aR,10bR,12bR)-1-(carboxymethyl)-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydro-7aH-cyclopenta[7,8]phe nanthro[1,2-c]furan-7a-yl]carbonyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-{[(1R,5aR,5bR,10R,10aR,10bR,12bR)-1-(carboxyméthyl)-10-isopropényl-3,3,5a,5b,12b-pentaméthyloctadécahydro-7aH-cyclopenta[7,8]phé nanthro[1,2-c]furan-7a-yl]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-[[(1R,5aR,5bR,10R,10aR,10bR,12bR)-1-(carboxymethyl)octadecahydro-3,3,5a,5b,12b-pentamethyl-10-(1-methyl ethenyl)-7aH-cyclopenta[7,8]phenanthro[1,2-c]furan-7a-yl]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: 1010.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.1±6.0 kJ/mol
Flash Point: 286.6±27.8 °C
Index of Refraction: 1.614
Molar Refractivity: 234.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 37.03
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 301 Å2
Polarizability: 93.1±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 673.8±5.0 cm3

Click to predict properties on the Chemicalize site


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