ChemSpider 2D Image | Methyl 3-{[3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-2,16,23-trihydroxyolean-12-en-28-oate | C43H70O16

Methyl 3-{[3-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-2,16,23-trihydroxyolean-12-en-28-oate

  • Molecular FormulaC43H70O16
  • Average mass843.006 Da
  • Monoisotopic mass842.466370 Da
  • ChemSpider ID10142550

  • defined stereocentres - 10 of 21 defined stereocentres

More details:

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

3-{[3-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-2,16,23-trihydroxyoléan-12-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[3-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-2,16,23-trihydroxyolean-12-en-28-oate [ACD/IUPAC Name]
Methyl-3-{[3-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-2,16,23-trihydroxyolean-12-en-28-oat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,16,23-trihydroxy-, methyl ester [ACD/Index Name]
Methyl 3-O-β-laminaribiosyl polygalacate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 948.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.5±6.0 kJ/mol
Flash Point: 276.4±27.8 °C
Index of Refraction: 1.619
Molar Refractivity: 210.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.22
ACD/KOC (pH 5.5): 780.84
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.22
ACD/KOC (pH 7.4): 780.84
Polar Surface Area: 266 Å2
Polarizability: 83.4±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 599.9±5.0 cm3

Click to predict properties on the Chemicalize site


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