3-[(2E,5E)-5-[[4-(2-Carboxyethyl)-3-Methyl-5-[(E)-(3-Methyl-5-Oxo-4-Vinyl-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-2-Yl]Methylene]-4-Methyl-2-[(3-Methyl-5-Oxo-4-Vinyl-Pyrrol-2-Yl)-Phenyl-Methylene]Pyrrol-3-Yl]Propanoic Acid

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Properties Simple | Detailed

Formula C39H38N4O6
IUPAC Name carbon dioxide; 3-[3-(dioxiran-3-ylidenemethylene)-5-[[4-ethynyl-5-[(1r)-1-(1-hydroxy-3-methyl-1h-azirin-1-ium-2-yl)-2-methylene-cyclopropyl]-3-methyl-pyrrol-1-ium-2-ylidene]methylene]-4-methylene-pyrrol-1-ium-2-yl]prop-1-ynyl-hydroxy-ammonium
Molecular Mass 658.742 g·mol−1
Heat of Formation -418.0 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 810.73 Å 3
Surface Area 641.33 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 21h-biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-5-phenyl-
  • 3-[(2e,5e)-5-[[4-(2-carboxyethyl)-3-methyl-5-[(e)-(3-methyl-5-oxo-4-vinyl-2-pyrrolylidene)methyl]-1h-pyrrol-2-yl]methylene]-4-methyl-2-[(3-methyl-5-oxo-4-vinyl-2-pyrrolyl)-phenylmethylene]-3-pyrrolyl]propanoic acid
  • 3-[(2e,5e)-5-[[4-(2-carboxyethyl)-5-[(e)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-3-methyl-1h-pyrrol-2-yl]methylidene]-2-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-yl)-phenyl-methylidene]-4-methyl-pyrrol-3-yl]propanoic acid
  • 3-[(2e,5e)-5-[[4-(2-carboxyethyl)-5-[(e)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-3-methyl-1h-pyrrol-2-yl]methylidene]-2-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)-phenylmethylidene]-4-methylpyrrol-3-yl]propanoic acid
  • 3-[(2e,5e)-5-[[4-(2-carboxyethyl)-5-[(e)-(5-keto-3-methyl-4-vinyl-3-pyrrolin-2-ylidene)methyl]-3-methyl-1h-pyrrol-2-yl]methylene]-2-[(5-keto-3-methyl-4-vinyl-pyrrol-2-yl)-phenyl-methylene]-4-methyl-3-pyrrolin-3-yl]propionic acid
  • beta-meso-phenybiliverdin ixa
  • beta-phenylbiliverdin ixa
CAS Number(s)
  • 80367-88-0
InChIKey YNFSPCSIAJAFPM-RCDWPDRLSA-N
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