ChemSpider 2D Image | 1-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranuronic acid | C16H18O10

1-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranuronic acid

  • Molecular FormulaC16H18O10
  • Average mass370.308 Da
  • Monoisotopic mass370.089996 Da
  • ChemSpider ID30777627

  • 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

1-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid
Feruloyl C1-glucuronide

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

  • Miscellaneous

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

Density: 1.6±0.1 g/cm3
Boiling Point: 659.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 242.1±25.0 °C
Index of Refraction: 1.650
Molar Refractivity: 83.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -3.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 88.1±5.0 dyne/cm
Molar Volume: 230.1±5.0 cm3

Click to predict properties on the Chemicalize site


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