ChemSpider 2D Image | (2S,3S)-2,3-Bis{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}succinic acid | C24H22O12

(2S,3S)-2,3-Bis{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}succinic acid

  • Molecular FormulaC24H22O12
  • Average mass502.424 Da
  • Monoisotopic mass502.111115 Da
  • ChemSpider ID29417106

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2,3-Bis{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}bernsteinsäure [German] [ACD/IUPAC Name]
(2S,3S)-2,3-Bis{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}succinic acid [ACD/IUPAC Name]
Acide (2S,3S)-2,3-bis{[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]oxy}succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2,3-bis[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (2S,3S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 728.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 246.8±26.4 °C
Index of Refraction: 1.653
Molar Refractivity: 124.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 340.1±3.0 cm3

Click to predict properties on the Chemicalize site


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