Pyropheophorbide a

3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

Also Known As: Pyropheophorbide a|Pyropheophorbide-a|pyrophaeophorbide|pyropheophorbidea|Pyropheophorbide alpha|PYROPHEOPHORBIDE|Pyropheophorbide-alpha|31,32-Didehydrophytochlorin|3-Deethyl-3-vinylphytochlorin|3-Vinyl-3-deethylphytochlorin|3-Deethyl-3-ethenylphytochlorin|J2.597.012H|3-(ethyl-tetramethyl-oxo-vinyl-[?]yl)propanoic acid|3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid|(17S,18S)-3-Deethyl-3-vinyl-17,18-dihydrophytoporphyrin|(17S,18S)-3-Vinyl-3-deethyl-17,18-dihydrophytoporphyrin|(17S,18S)-31,32-Didehydro-17,18-dihydrophytoporphyrin|(3S-trans)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid|3-[(3S,4S)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid|3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S)-|3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S-trans)-|3-[(3S,4S)-9-Ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoic acid|(17S,18S)-131(132H)-Oxo-3-ethenyl-8-ethyl-2,7,12,18-tetramethyl-17,18-dihydro-21H,23H-cyclopenta[mn]porphyrin-17-propanoic acid

Molecular Formula	C33H34N4O3
Molecular Weight	534.26306 g/mol
LogP	2.6
Topological Polar Surface Area	107.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	534.26306
Monoisotopic Mass	534.26306
Heavy Atoms	40
Complexity	1660.0

Chemical Identifiers

CAS Number	24533-72-0
SMILES	CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)O)C)C
InChIKey	FDKRLXBXYZKWRZ-UWJYYQICSA-N