ChemSpider 2D Image | (3S)-4-{4-[(E)-2-Carboxylatovinyl]-2,6-dimethoxyphenoxy}-3-hydroxy-4-oxobutanoate | C15H14O9

(3S)-4-{4-[(E)-2-Carboxylatovinyl]-2,6-dimethoxyphenoxy}-3-hydroxy-4-oxobutanoate

  • Molecular FormulaC15H14O9
  • Average mass338.267 Da
  • Monoisotopic mass338.064880 Da
  • ChemSpider ID26330782

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-{4-[(E)-2-Carboxylatovinyl]-2,6-dimethoxyphenoxy}-3-hydroxy-4-oxobutanoat [German] [ACD/IUPAC Name]
(3S)-4-{4-[(E)-2-Carboxylatovinyl]-2,6-dimethoxyphenoxy}-3-hydroxy-4-oxobutanoate [ACD/IUPAC Name]
(3S)-4-{4-[(E)-2-Carboxylatovinyl]-2,6-diméthoxyphénoxy}-3-hydroxy-4-oxobutanoate [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-, 1-[4-[(E)-2-carboxyethenyl]-2,6-dimethoxyphenyl] ester, ion(2-), (2S)- [ACD/Index Name]
(3S)-4-{4-[(E)-2-carboxylatoethenyl]-2,6-dimethoxyphenoxy}-3-hydroxy-4-oxobutanoate
3-(4-{[(2S)-3-carboxy-2-hydroxypropanoyl]oxy}-3,5-dimethoxyphenyl)acrylate
3-(4-{[(2S)-3-carboxy-2-hydroxypropanoyl]oxy}-3,5-dimethoxyphenyl)prop-2-enoate
sinapoyl (S)-malate
sinapoyl (S)-malate(2-)
sinapoyl-(S)-malate

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

Density:
Boiling Point: 564.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 208.1±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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