ChemSpider 2D Image | 1-O-[(3beta,5xi,9xi)-3-(alpha-L-Arabinopyranosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C41H66O12

1-O-[(3β,5ξ,9ξ)-3-(α-L-Arabinopyranosyloxy)-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC41H66O12
  • Average mass750.956 Da
  • Monoisotopic mass750.455444 Da
  • ChemSpider ID90615813

  • defined stereocentres - 15 of 17 defined stereocentres

More details:

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

1-O-[(3β,5ξ,9ξ)-3-(α-L-Arabinopyranosyloxy)-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ)-3-(α-L-Arabinopyranosyloxy)-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ)-3-(α-L-Arabinopyranosyloxy)-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β,5ξ,9ξ)-3-(α-L-arabinopyranosyloxy)-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Compound NP-023180

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

Density: 1.3±0.1 g/cm3
Boiling Point: 813.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.6±6.0 kJ/mol
Flash Point: 238.1±27.8 °C
Index of Refraction: 1.601
Molar Refractivity: 194.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 8.25
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38475.74
ACD/KOC (pH 5.5): 66628.48
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38475.06
ACD/KOC (pH 7.4): 66627.30
Polar Surface Area: 196 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 568.9±5.0 cm3

Click to predict properties on the Chemicalize site


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