Urobilin

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Properties Simple | Detailed

Formula C33H42N4O6
IUPAC Name 3-[(2z)-2-[[3-(2-carboxyethyl)-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-1-ium-5-ylium-2-yl]methylene]-5-[[(2s)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-3-yl]propanoic acid
Molecular Mass 590.710 g·mol−1
Heat of Formation -1017.3 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 758.56 Å 3
Surface Area 574.33 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 21h-biline-8,12-dipropanoic acid, 3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-
  • 3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21h-biline-8,12-dipropionic acid
  • 3-[2-[(z)-[3-(2-carboxyethyl)-5-[[(2s)-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-[[(2s)-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-[[(2s)-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-[[(2s)-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
CAS Number(s)
  • 11000-05-8
  • 119-86-8
  • 12713-05-2
  • 17205-07-1
  • 1856-98-0
  • 2462-66-0
InChIKey KDCCOOGTVSRCHX-UYMYUHGCSA-N
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