Chlorin p6

(17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2,20-dicarboxylic acid

Also Known As: Chlorin p6|Chlorin e6|J2.290.966E|15-Demethyl-13,15-dicarboxy-31,32-didehydrophyllochlorin|(17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2,20-dicarboxylic acid|(17S,18S)-18-(2-Carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-2-carboxylic acid|(5Z,10Z,14Z,17S,18S,19E)-18-(2-carboxyethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18,21,23-tetrahydroporphyrin-2,20-dicarboxylic acid|18alpha-(2-Carboxyethyl)-12-ethenyl-7-ethyl-17,18-dihydro-3,8,13,17beta-tetramethyl-21H,23H-porphyrin-2,20-dicarboxylic acid|21H,23H-Porphine-2,20-dicarboxylic acid, 18-(2-carboxyethyl)-12-ethenyl-7-ethyl-17,18-dihydro-3,8,13,17-tetramethyl-, (17S-trans)-

Molecular Formula	C33H34N4O6
Molecular Weight	582.24786 g/mol
LogP	6.60264
Topological Polar Surface Area	169.26 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	582.24786
Monoisotopic Mass	582.24786
Heavy Atoms	43
Complexity	1926.8765

Chemical Identifiers

CAS Number	22006-68-4
SMILES	CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)C(=O)O)CCC(=O)O)C)C)C=C)C