ChemSpider 2D Image | (3Z,3'Z)-4,4'-[1,4-Phenylenebis(methyleneoxy-3,1-phenylene)]bis(4-hydroxy-2-oxo-3-butenoic acid) | C28H22O10

(3Z,3'Z)-4,4'-[1,4-Phenylenebis(methyleneoxy-3,1-phenylene)]bis(4-hydroxy-2-oxo-3-butenoic acid)

  • Molecular FormulaC28H22O10
  • Average mass518.468 Da
  • Monoisotopic mass518.121277 Da
  • ChemSpider ID4674898

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z,3'Z)-4,4'-[1,4-Phenylenbis(methylenoxy-3,1-phenylen)]bis(4-hydroxy-2-oxo-3-butensäure) [German] [ACD/IUPAC Name]
(3Z,3'Z)-4,4'-[1,4-Phenylenebis(methyleneoxy-3,1-phenylene)]bis(4-hydroxy-2-oxo-3-butenoic acid) [ACD/IUPAC Name]
(3Z,3'Z)-4,4'-[benzene-1,4-diylbis(methanediyloxybenzene-3,1-diyl)]bis(4-hydroxy-2-oxobut-3-enoic acid)
3-Butenoic acid, 4,4'-[1,4-phenylenebis(methyleneoxy-3,1-phenylene)]bis[4-hydroxy-2-oxo-, (3Z,3'Z)- [ACD/Index Name]
Acide (3Z,3'Z)-4,4'-[1,4-phénylènebis(méthylèneoxy-3,1-phénylène)]bis(4-hydroxy-2-oxo-3-buténoïque) [French] [ACD/IUPAC Name]
(Z)-4-(3-{4-[3-((Z)-3-Carboxy-3-hydroxy-allanoyl)-phenoxymethyl]-benzyloxy}-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid
(Z)-4-(3-{4-[3-(3-Carboxy-3-hydroxy-acryloyl)-phenoxymethyl]-benzyloxy}-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid

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

AIDS209879 [DBID]
AIDS-209879 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 256.4±26.4 °C
Index of Refraction: 1.664
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 359.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement