ChemSpider 2D Image | 6-Methoxy-5-[(2E)-6-methoxy-3-methyl-6-oxo-2-hexen-1-yl]-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl methyl alpha-L-talopyranosiduronate | C25H32O12

6-Methoxy-5-[(2E)-6-methoxy-3-methyl-6-oxo-2-hexen-1-yl]-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl methyl α-L-talopyranosiduronate

  • Molecular FormulaC25H32O12
  • Average mass524.514 Da
  • Monoisotopic mass524.189392 Da
  • ChemSpider ID62472190

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Hexenoic acid, 6-[1,3-dihydro-6-methoxy-7-methyl-4-[(6-methyl-α-L-talopyranuronosyl)oxy]-3-oxo-5-isobenzofuranyl]-4-methyl-, methyl ester, (4E)- [ACD/Index Name]
6-Methoxy-5-[(2E)-6-methoxy-3-methyl-6-oxo-2-hexen-1-yl]-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl methyl α-L-talopyranosiduronate [ACD/IUPAC Name]
6-Methoxy-5-[(2E)-6-methoxy-3-methyl-6-oxo-2-hexen-1-yl]-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl-methyl-α-L-talopyranosiduronat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 748.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 249.2±26.4 °C
Index of Refraction: 1.578
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 91.29
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 91.29
Polar Surface Area: 167 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 381.2±3.0 cm3

Click to predict properties on the Chemicalize site


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