1,14,15,17-Tetrahydro-2,7,13-Trimethyl-1,14- Dioxo-3-Vinyl-16H-Tripyrrin-8,12-Dipropionic Acid

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Properties Simple | Detailed

Formula C25H27N3O6
IUPAC Name 3-[(2e)-2-[[3-(2-carboxyethyl)-4-methyl-5-[(e)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]pyrrol-1-ium-2-ylium-2-yl]methylene]-4-methyl-5-oxo-pyrrol-3-yl]propanoic acid
Molecular Mass 465.498 g·mol−1
Heat of Formation -842.2 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 567.25 Å 3
Surface Area 447.4 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-[(e)-[3-(2-carboxyethyl)-4-methyl-5-oxo-2-pyrrolylidene]methyl]-4-methyl-5-[(e)-(4-methyl-5-oxo-3-vinyl-2-pyrrolylidene)methyl]-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(e)-[3-(2-carboxyethyl)-4-methyl-5-oxo-pyrrol-2-ylidene]methyl]-4-methyl-5-[(e)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(e)-[3-(2-carboxyethyl)-4-methyl-5-oxo-pyrrol-2-ylidene]methyl]-5-[(e)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(e)-[3-(2-carboxyethyl)-4-methyl-5-oxopyrrol-2-ylidene]methyl]-5-[(e)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[(e)-[3-(2-carboxyethyl)-5-keto-4-methyl-3-pyrrolin-2-ylidene]methyl]-5-[(e)-(5-keto-4-methyl-3-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propionic acid
InChIKey DXWHHYOVLWSVQD-WOEXBRBNSA-N
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