ChemSpider 2D Image | (2E)-3-[4-(beta-D-Galactopyranosyloxy)phenyl]acrylic acid | C15H18O8

(2E)-3-[4-(β-D-Galactopyranosyloxy)phenyl]acrylic acid

  • Molecular FormulaC15H18O8
  • Average mass326.299 Da
  • Monoisotopic mass326.100159 Da
  • ChemSpider ID127384207

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E)-3-[4-(β-D-Galactopyranosyloxy)phenyl]acrylic acid [ACD/IUPAC Name]
(2E)-3-[4-(β-D-Galactopyranosyloxy)phenyl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-(β-D-galactopyranosyloxy)phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[4-(β-D-galactopyranosyloxy)phényl]acrylique [French] [ACD/IUPAC Name]
(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
117405-49-9 [RN]
14364-05-7 [RN]
4-O-D-Glucopyranosyl-p-coumaric acid
4-O-β-D-glucosyl-4-coumaric acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 631.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 236.4±25.0 °C
Index of Refraction: 1.672
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 73.9±3.0 dyne/cm
Molar Volume: 212.1±3.0 cm3

Click to predict properties on the Chemicalize site


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