ChemSpider 2D Image | cadiolide A | C24H12Br4O6

cadiolide A

  • Molecular FormulaC24H12Br4O6
  • Average mass715.964 Da
  • Monoisotopic mass711.736694 Da
  • ChemSpider ID10267332

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-3-(3,5-Dibrom-4-hydroxybenzoyl)-4-(3,5-dibrom-4-hydroxyphenyl)-5-(4-hydroxybenzyliden)-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-3-(3,5-Dibromo-4-hydroxybenzoyl)-4-(3,5-dibromo-4-hydroxyphenyl)-5-(4-hydroxybenzylidene)-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-3-(3,5-Dibromo-4-hydroxybenzoyl)-4-(3,5-dibromo-4-hydroxyphényl)-5-(4-hydroxybenzylidène)-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-(3,5-dibromo-4-hydroxybenzoyl)-4-(3,5-dibromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylene]-, (5Z)- [ACD/Index Name]
cadiolide A

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

Density: 2.1±0.1 g/cm3
Boiling Point: 738.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 400.2±32.9 °C
Index of Refraction: 1.784
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.53
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 43181.41
ACD/KOC (pH 5.5): 40601.93
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 326.64
ACD/KOC (pH 7.4): 307.13
Polar Surface Area: 104 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 82.0±3.0 dyne/cm
Molar Volume: 334.5±3.0 cm3

Click to predict properties on the Chemicalize site


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