ChemSpider 2D Image | (2Z)-3-[2-(beta-D-Glucopyranosyloxy)phenyl]acrylic acid | C15H18O8

(2Z)-3-[2-(β-D-Glucopyranosyloxy)phenyl]acrylic acid

  • Molecular FormulaC15H18O8
  • Average mass326.299 Da
  • Monoisotopic mass326.100159 Da
  • ChemSpider ID22912899
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(2Z)-3-[2-(β-D-Glucopyranosyloxy)phenyl]acrylic acid [ACD/IUPAC Name]
(2Z)-3-[2-(β-D-Glucopyranosyloxy)phenyl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[2-(β-D-glucopyranosyloxy)phenyl]-, (2Z)- [ACD/Index Name]
Acide (2Z)-3-[2-(β-D-glucopyranosyloxy)phényl]acrylique [French] [ACD/IUPAC Name]
(2Z)-3-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
(2Z)-3-[2-(β-D-glucopyranosyloxy)phenyl]prop-2-enoic acid
2-(β-D-glucosyloxy)-cis-cinnamic acid
cis-coumarinic acid-??-D-glucoside
cis-coumarinic acid-β-D-glucoside
cis-melilotoside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 615.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 230.1±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): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
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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