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

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Properties Simple | Detailed

Formula C33H36N4O6
IUPAC Name 3-[(2z)-2-[[5-[[5-[[4-(2-carboxylatoethyl)-3-methyl-5-oxo-pyrrol-1-ium-2-yl]methyl]-3-methyl-4-vinyl-pyrrol-1-ium-2-ylium-2-yl]methyl]-3-methyl-4-vinyl-pyrrol-1-ium-2-ylium-2-yl]methylene]-4-methyl-5-oxo-pyrrol-3-yl]propanoate
Molecular Mass 584.662 g·mol−1
Heat of Formation -512.0 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 710.73 Å 3
Surface Area 593.96 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry C1
Synonyms
  • 21h-biline-2,18-dipropanoic acid, 8,13-diethenyl-1,19,22,24-tetrahydro-3,7,12,17-tetramethyl-1,19-dioxo-
  • 3-[5-[(e)-[(5e)-5-[[5-[(z)-[3-(2-carboxyethyl)-4-methyl-5-oxo-2-pyrrolylidene]methyl]-4-methyl-3-vinyl-1h-pyrrol-2-yl]methylene]-4-methyl-3-vinyl-2-pyrrolylidene]methyl]-4-methyl-2-oxo-3-pyrrolyl]propanoic acid
  • 3-[5-[(e)-[(5e)-5-[[5-[(z)-[3-(2-carboxyethyl)-4-methyl-5-oxo-pyrrol-2-ylidene]methyl]-3-ethenyl-4-methyl-1h-pyrrol-2-yl]methylidene]-3-ethenyl-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-2-oxo-pyrrol-3-yl]propanoic acid
  • 3-[5-[(e)-[(5e)-5-[[5-[(z)-[3-(2-carboxyethyl)-4-methyl-5-oxopyrrol-2-ylidene]methyl]-3-ethenyl-4-methyl-1h-pyrrol-2-yl]methylidene]-3-ethenyl-4-methylpyrrol-2-ylidene]methyl]-4-methyl-2-oxopyrrol-3-yl]propanoic acid
  • 3-[5-[(e)-[(5e)-5-[[5-[(z)-[3-(2-carboxyethyl)-5-keto-4-methyl-3-pyrrolin-2-ylidene]methyl]-4-methyl-3-vinyl-1h-pyrrol-2-yl]methylene]-4-methyl-3-vinyl-3-pyrrolin-2-ylidene]methyl]-2-keto-4-methyl-pyrrol-3-yl]propionic acid
  • pterobilin
CAS Number(s)
  • 20890-42-0
  • 21494-88-2
  • 25123-07-3
InChIKey SVSBSYWWDXUJJT-VGZAAFBHSA-N
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