ChemSpider 2D Image | (2Z)-2-(5-{(1E)-3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl}-2-hydroxyphenoxy)-3-(3,4-dihydroxyphenyl)acrylic acid | C27H22O12

(2Z)-2-(5-{(1E)-3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl}-2-hydroxyphenoxy)-3-(3,4-dihydroxyphenyl)acrylic acid

  • Molecular FormulaC27H22O12
  • Average mass538.456 Da
  • Monoisotopic mass538.111145 Da
  • ChemSpider ID10197108

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(5-{(1E)-3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl}-2-hydroxyphenoxy)-3-(3,4-dihydroxyphenyl)acrylic acid [ACD/IUPAC Name]
(2Z)-2-(5-{(1E)-3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl}-2-hydroxyphenoxy)-3-(3,4-dihydroxyphenyl)acrylsäure [German] [ACD/IUPAC Name]
Acide (2Z)-2-(5-{(1E)-3-[1-carboxy-2-(3,4-dihydroxyphényl)éthoxy]-3-oxo-1-propén-1-yl}-2-hydroxyphénoxy)-3-(3,4-dihydroxyphényl)acrylique [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(2E)-3-[3-[[(Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenyl]oxy]-4-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy- [ACD/Index Name]
(2Z)-2-{5-[(1E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
3'-O-(8''-Z-caffeoyl)rosmarinic acid
Isomelitric acid A
Isoschizotenuin E

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

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

Density: 1.6±0.0 g/cm3
Boiling Point: 878.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 133.7±0.0 kJ/mol
Flash Point: 295.4±0.0 °C
Index of Refraction: 1.752
Molar Refractivity: 136.8±0.0 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.63
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 54.2±0.0 10-24cm3
Surface Tension: 90.6±0.0 dyne/cm
Molar Volume: 335.1±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement