ChemSpider 2D Image | luteolin 7-O-beta-D-glucoside-4'-(Z-2-methyl-2-butenoate) | C26H26O12

luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate)

  • Molecular FormulaC26H26O12
  • Average mass530.477 Da
  • Monoisotopic mass530.142456 Da
  • ChemSpider ID34999585

  • 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)-2-Méthyl-2-buténoate de 4-[7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromén-2-yl]-2-hydroxyphényle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, 4-[7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl ester, (2Z)- [ACD/Index Name]
4-[7-(β-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
4-[7-(β-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate)
4-[7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl (2Z)-2-methylbut-2-enoate
5,3'-dihydroxy-4'-O-angeloxyflavone-7-O-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      An enoate ester obtained by the formal condensation of the 4'-hydroxy group of luteolin 7-<element>O</element>-<stereo>beta</stereo>-<stereo>D</stereo>-glucoside with the carboxy group of angelic acid . ChEBI CHEBI:85149
      An enoate ester obtained by the formal condensation of the 4'-hydroxy group of luteolin 7-O-beta-D-glucoside with the carboxy group of angelic acid. ChEBI CHEBI:85149
      An enoate ester obtained by the formal condensation of the 4'-hydroxy group of luteolin 7-O-beta-D-glucoside with the carboxy group of angelic acid; . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85149

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

Density: 1.5±0.1 g/cm3
Boiling Point: 838.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 283.1±27.8 °C
Index of Refraction: 1.673
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 69.41
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.72
Polar Surface Area: 192 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 78.1±3.0 dyne/cm
Molar Volume: 343.8±3.0 cm3

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