ChemSpider 2D Image | omubioside | C26H36O14

omubioside

  • Molecular FormulaC26H36O14
  • Average mass572.556 Da
  • Monoisotopic mass572.210510 Da
  • ChemSpider ID28479699

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2H-1-Benzopyran-6-propanoic acid, 5-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,2-dimethyl- [ACD/Index Name]
3-(5-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-2,2-dimethyl-2H-chromen-6-yl)propanoic acid [ACD/IUPAC Name]
3-(5-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-2,2-dimethyl-2H-chromen-6-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(5-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-2,2-diméthyl-2H-chromén-6-yl)propanoïque [French] [ACD/IUPAC Name]
omubioside
8a-(O-β-gentiobiosyloxy)-7,8-(9,9-dimethylpyrano)hydrocoumaric acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 853.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.0±3.0 kJ/mol
Flash Point: 282.3±27.8 °C
Index of Refraction: 1.659
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 89.4±5.0 dyne/cm
Molar Volume: 363.5±5.0 cm3

Click to predict properties on the Chemicalize site


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