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

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Properties Simple | Detailed

Formula C25H12N4O6
IUPAC Name carbon dioxide; 5-[[5-[[3-(dioxiran-3-ylidenemethylene)-4-methylene-5-(2-nitrosoethynyl)pyrrol-1-ium-2-ylidene]methylene]-3-ethynyl-4-methyl-pyrrol-1-ium-2-yl]methyl]-3,4-dimethylene-pyrrol-1-ium-2-one
Molecular Mass 464.386 g·mol−1
Heat of Formation -718.7 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 704.0 Å 3
Surface Area 567.43 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 21h-biline-8,12-dipropanoic acid, 18-ethenyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2r,3e)-
  • 3-[5-[(e)-[(5z)-3-(2-carboxyethyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-2-pyrrolyl)methylene]-2-pyrrolylidene]methyl]-2-[(z)-[(3z,4r)-3-ethylidene-4-methyl-5-oxo-2-pyrrolidinylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[5-[(e)-[(5z)-3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-yl)methylidene]-4-methyl-pyrrol-2-ylidene]methyl]-2-[(z)-[(3z,4r)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[5-[(e)-[(5z)-3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-2-[(z)-[(3z,4r)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[5-[(e)-[(5z)-3-(2-carboxyethyl)-5-[(5-keto-3-methyl-4-vinyl-pyrrol-2-yl)methylene]-4-methyl-3-pyrrolin-2-ylidene]methyl]-2-[(z)-[(3z,4r)-3-ethylidene-5-keto-4-methyl-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propionic acid
  • phytochromobilin
CAS Number(s)
  • 143392-71-6
InChIKey BJHKOBMQJMHRHS-SBEGJXMUSA-N
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