Phycourobilin

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Properties Simple | Detailed

Formula C33H43N4O6
IUPAC Name 3-[2-[[3-(2-carboxyethyl)-5-[[(2r)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-1-ium-2-yl]methyl]-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-1-ium-3-id-3-yl]propanoic acid
Molecular Mass 591.718 g·mol−1
Heat of Formation -1022.1 ± 16.7 kJ·mol−1
Dipole Moment 9.33 ± 1.08 D
Volume 747.22 Å 3
Surface Area 578.21 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -1.90 ± 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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