ChemSpider 2D Image | rubrolide A | C17H8Br4O4

rubrolide A

  • Molecular FormulaC17H8Br4O4
  • Average mass595.859 Da
  • Monoisotopic mass591.715576 Da
  • ChemSpider ID4792948

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-(3,5-Dibrom-4-hydroxybenzyliden)-4-(3,5-dibrom-4-hydroxyphenyl)-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-5-(3,5-Dibromo-4-hydroxybenzylidene)-4-(3,5-dibromo-4-hydroxyphenyl)-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-5-(3,5-Dibromo-4-hydroxybenzylidène)-4-(3,5-dibromo-4-hydroxyphényl)-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 4-(3,5-dibromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylene]-, (5Z)- [ACD/Index Name]
rubrolide A
(5Z)-5-(3,5-dibromo-4-hydroxybenzylidene)-4-(3,5-dibromo-4-hydroxyphenyl)furan-2(5H)-one
5-(3,5-dibromo-4-hydroxybenzylidene)-4-(3,5-dibromo-4-hydroxyphenyl)furan-2(5H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL511842/

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

Density: 2.3±0.1 g/cm3
Boiling Point: 595.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 314.0±30.1 °C
Index of Refraction: 1.779
Molar Refractivity: 109.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 39439.08
ACD/KOC (pH 5.5): 57989.46
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 477.86
ACD/KOC (pH 7.4): 702.62
Polar Surface Area: 67 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 78.1±3.0 dyne/cm
Molar Volume: 261.1±3.0 cm3

Click to predict properties on the Chemicalize site


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