ChemSpider 2D Image | (2E)-3-(4-{[3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(sulfooxy)-2-propanyl]oxy}-3-methoxyphenyl)acrylic acid | C20H22O11S

(2E)-3-(4-{[3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(sulfooxy)-2-propanyl]oxy}-3-methoxyphenyl)acrylic acid

  • Molecular FormulaC20H22O11S
  • Average mass470.447 Da
  • Monoisotopic mass470.088287 Da
  • ChemSpider ID58164173

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-{[3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(sulfooxy)-2-propanyl]oxy}-3-methoxyphenyl)acrylic acid [ACD/IUPAC Name]
(2E)-3-(4-{[3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(sulfooxy)-2-propanyl]oxy}-3-methoxyphenyl)acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-(4-{[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid
2-Propenoic acid, 3-[4-[2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)-2-(sulfooxy)ethoxy]-3-methoxyphenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-(4-{[3-hydroxy-1-(4-hydroxy-3-méthoxyphényl)-1-(sulfooxy)-2-propanyl]oxy}-3-méthoxyphényl)acrylique [French] [ACD/IUPAC Name]
G(8-O-4)FA Sulfate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -4.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 312.7±3.0 cm3

Click to predict properties on the Chemicalize site


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