ChemSpider 2D Image | (2Z)-2-(3,4-Dihydroxybenzylidene)-5-{5-[(Z)-(4,6-dihydroxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]-2,3-dihydroxyphenyl}-4,6-dihydroxy-1-benzofuran-3(2H)-one | C30H18O12

(2Z)-2-(3,4-Dihydroxybenzylidene)-5-{5-[(Z)-(4,6-dihydroxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]-2,3-dihydroxyphenyl}-4,6-dihydroxy-1-benzofuran-3(2H)-one

  • Molecular FormulaC30H18O12
  • Average mass570.457 Da
  • Monoisotopic mass570.079834 Da
  • ChemSpider ID10123759
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-2-(3,4-Dihydroxybenzyliden)-5-{5-[(Z)-(4,6-dihydroxy-3-oxo-1-benzofuran-2(3H)-yliden)methyl]-2,3-dihydroxyphenyl}-4,6-dihydroxy-1-benzofuran-3(2H)-on [German] [ACD/IUPAC Name]
(2Z)-2-(3,4-Dihydroxybenzylidene)-5-{5-[(Z)-(4,6-dihydroxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]-2,3-dihydroxyphenyl}-4,6-dihydroxy-1-benzofuran-3(2H)-one [ACD/IUPAC Name]
(2Z)-2-(3,4-Dihydroxybenzylidène)-5-{5-[(Z)-(4,6-dihydroxy-3-oxo-1-benzofuran-2(3H)-ylidène)méthyl]-2,3-dihydroxyphényl}-4,6-dihydroxy-1-benzofuran-3(2H)-one [French] [ACD/IUPAC Name]
3(2H)-Benzofuranone, 5-[5-[(Z)-(4,6-dihydroxy-3-oxo-2(3H)-benzofuranylidene)methyl]-2,3-dihydroxyphenyl]-2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-, (2Z)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1044.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.0±3.0 kJ/mol
Flash Point: 350.1±27.8 °C
Index of Refraction: 1.910
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 70.16
ACD/KOC (pH 5.5): 624.97
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 125.0±3.0 dyne/cm
Molar Volume: 311.0±3.0 cm3

Click to predict properties on the Chemicalize site






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