ChemSpider 2D Image | Methyl 4-{[6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-3,5-dimethoxybenzoate | C22H32O15

Methyl 4-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-3,5-dimethoxybenzoate

  • Molecular FormulaC22H32O15
  • Average mass536.481 Da
  • Monoisotopic mass536.174133 Da
  • ChemSpider ID30900649

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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4-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-3,5-diméthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,5-dimethoxy-, methyl ester [ACD/Index Name]
Methyl 4-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-3,5-dimethoxybenzoate [ACD/IUPAC Name]
Methyl-4-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-3,5-dimethoxybenzoat [German] [ACD/IUPAC Name]
Leptosin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 749.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 252.0±26.4 °C
Index of Refraction: 1.623
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 223 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 84.1±5.0 dyne/cm
Molar Volume: 339.0±5.0 cm3

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