ChemSpider 2D Image | 1-O-[(2alpha,3beta)-3-(beta-D-Glucopyranosyloxy)-2,24-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C42H68O15

1-O-[(2α,3β)-3-(β-D-Glucopyranosyloxy)-2,24-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC42H68O15
  • Average mass812.980 Da
  • Monoisotopic mass812.455811 Da
  • ChemSpider ID72975910

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

1-O-[(2α,3β)-3-(β-D-Glucopyranosyloxy)-2,24-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β)-3-(β-D-Glucopyranosyloxy)-2,24-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β)-3-(β-D-Glucopyranosyloxy)-2,24-dihydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2α,3β)-3-(β-D-glucopyranosyloxy)-2,24-dihydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
91174-19-5 [RN]
Lucyoside B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 906.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.6±6.0 kJ/mol
Flash Point: 265.4±27.8 °C
Index of Refraction: 1.625
Molar Refractivity: 204.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.58
ACD/KOC (pH 5.5): 996.58
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.58
ACD/KOC (pH 7.4): 996.57
Polar Surface Area: 256 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 577.5±5.0 cm3

Click to predict properties on the Chemicalize site


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