ChemSpider 2D Image | marinopyrrole B | C22H11BrCl4N2O4

marinopyrrole B

  • Molecular FormulaC22H11BrCl4N2O4
  • Average mass589.050 Da
  • Monoisotopic mass585.865601 Da
  • ChemSpider ID27023263

More details:

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(-)-marinopyrrole B
(3-Brom-4,4',5,5'-tetrachlor-1'H-1,3'-bipyrrol-2,2'-diyl)bis[(2-hydroxyphenyl)methanon] [German] [ACD/IUPAC Name]
(3-Bromo-4,4',5,5'-tetrachloro-1'H-1,3'-bipyrrole-2,2'-diyl)bis[(2-hydroxyphenyl)methanone] [ACD/IUPAC Name]
(3-Bromo-4,4',5,5'-tétrachloro-1'H-1,3'-bipyrrole-2,2'-diyl)bis[(2-hydroxyphényl)méthanone] [French] [ACD/IUPAC Name]
marinopyrrole B
Methanone, 1,1'-(3-bromo-4,4',5,5'-tetrachloro[1,3'-bi-1H-pyrrole]-2,2'-diyl)bis[1-(2-hydroxyphenyl)- [ACD/Index Name]
()-marinopyrrole B
E'AGN-PC-04RITS'
  • Miscellaneous

    • Chemical Class:

      A member of the class of pyrroles that is 1'<element>H</element>-1,3'-bipyrrole substituted by a bromo group at position 3, four chloro groups at positions 4, 4', 5 and 5' and two 2-hydroxybenzoyl moi eties at positions 2 and 2'. It is isolated from <ital>Streptomyces</ital> sp.CNQ-418 and exhibits cytotoxic and antibacterial activities. ChEBI CHEBI:66679
      A member of the class of pyrroles that is 1'H-1,3'-bipyrrole substituted by a bromo group at position 3, four chloro groups at positions 4, 4', 5 and 5' and two 2-hydroxybenzoyl moi; eties at position s 2 and 2'. It is isolated from Streptomyces sp.CNQ-418 and exhibits cytotoxic and antibacterial activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66679
      A member of the class of pyrroles that is 1'H-1,3'-bipyrrole substituted by a bromo group at position 3, four chloro groups at positions 4, 4', 5 and 5' and two 2-hydroxybenzoyl moieties at positions 2 and 2'. It is isolated from Streptomyces sp.CNQ-418 and exhibits cytotoxic and antibacterial activities. ChEBI CHEBI:66679

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

Density: 1.8±0.1 g/cm3
Boiling Point: 765.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 416.7±32.9 °C
Index of Refraction: 1.728
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 88772.20
ACD/KOC (pH 5.5): 118854.48
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 7485.88
ACD/KOC (pH 7.4): 10022.62
Polar Surface Area: 95 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 326.8±7.0 cm3

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