ChemSpider 2D Image | [(1E,3Z,6E)-3-Hydroxy-5-oxo-1,3,6-heptatriene-1,7-diyl]bis-2-methoxy-4,1-phenylene bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate] | C31H36O12

[(1E,3Z,6E)-3-Hydroxy-5-oxo-1,3,6-heptatriene-1,7-diyl]bis-2-methoxy-4,1-phenylene bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate]

  • Molecular FormulaC31H36O12
  • Average mass600.610 Da
  • Monoisotopic mass600.220703 Da
  • ChemSpider ID76744316

  • Double-bond stereo - Double-bond stereo

More details:

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

[(1E,3Z,6E)-3-Hydroxy-5-oxo-1,3,6-heptatrien-1,7-diyl]bis-2-methoxy-4,1-phenylen-bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoat] [German] [ACD/IUPAC Name]
[(1E,3Z,6E)-3-Hydroxy-5-oxo-1,3,6-heptatriene-1,7-diyl]bis-2-methoxy-4,1-phenylene bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate] [ACD/IUPAC Name]
Bis[3-hydroxy-2-(hydroxyméthyl)-2-méthylpropanoate] de [(1E,3Z,6E)-3-hydroxy-5-oxo-1,3,6-heptatriène-1,7-diyl]bis-2-méthoxy-4,1-phénylène [French] [ACD/IUPAC Name]
Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, [(1E,3Z,6E)-3-hydroxy-5-oxo-1,3,6-heptatriene-1,7-diyl]bis-2-methoxy-4,1-phenylene ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 853.6±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: 273.2±27.8 °C
Index of Refraction: 1.622
Molar Refractivity: 158.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.92
ACD/KOC (pH 5.5): 166.56
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.00
ACD/KOC (pH 7.4): 149.41
Polar Surface Area: 189 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 449.3±3.0 cm3

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