ChemSpider 2D Image | 6-O-beta-D-Glucopyranosyl-1-O-(3,23,29-trihydroxy-23,28-dioxoolean-12-en-28-yl)-beta-D-glucopyranose | C42H66O16

6-O-β-D-Glucopyranosyl-1-O-(3,23,29-trihydroxy-23,28-dioxoolean-12-en-28-yl)-β-D-glucopyranose

  • Molecular FormulaC42H66O16
  • Average mass826.964 Da
  • Monoisotopic mass826.435059 Da
  • ChemSpider ID10142267

  • defined stereocentres - 10 of 20 defined stereocentres

More details:

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

6-O-β-D-Glucopyranosyl-1-O-(3,23,29-trihydroxy-23,28-dioxoolean-12-en-28-yl)-β-D-glucopyranose [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1-O-(3,23,29-trihydroxy-23,28-dioxoolean-12-en-28-yl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1-O-(3,23,29-trihydroxy-23,28-dioxooléan-12-én-28-yl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-1-O-(3,23,29-trihydroxy-23,28-dioxoolean-12-en-28-yl)- [ACD/Index Name]
Dianoside E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 946.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.2±6.0 kJ/mol
Flash Point: 278.4±27.8 °C
Index of Refraction: 1.631
Molar Refractivity: 204.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 39.99
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 573.5±5.0 cm3

Click to predict properties on the Chemicalize site


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