Phycourobilin

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Properties Simple | Detailed

Formula C33H42N4O6
IUPAC Name 3-[2-[(z)-[3-(2-carboxyethyl)-5-[[(2r)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
Molecular Mass 590.710 g·mol−1
Heat of Formation -1021.5 ± 16.7 kJ·mol−1
Dipole Moment 8.96 ± 1.08 D
Volume 753.52 Å 3
Surface Area 562.71 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-[(z)-[3-(2-carboxyethyl)-5-[[(2r)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-2-pyrrolylidene]methyl]-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(z)-[3-(2-carboxyethyl)-5-[[(2r)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(z)-[3-(2-carboxyethyl)-5-[[(2r)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methylpyrrol-2-ylidene]methyl]-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(z)-[3-(2-carboxyethyl)-5-[[(2r)-4-ethyl-5-keto-3-methyl-3-pyrrolin-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2s)-3-ethyl-5-keto-4-methyl-3-pyrrolin-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propionic acid
InChIKey KDCCOOGTVSRCHX-YYVBKQGDSA-N
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