Hydroxypropionic porphyrin III

3-[8,13,18-tris(2-carboxyethyl)-7,12,17-tris(carboxymethyl)-3-methyl-23,24-dihydroporphyrin-2-yl]propanoic acid

Also Known As: Phyriaporphyrin|Heptacarboxylic porphyrin|Hydroxypropionic porphyrin III|J1.087.142E|b-Hydroxypropionic acid heptacarboxylic porphyrin III|beta-Hydroxypropionic acid heptacarboxylic porphyrin III|21h,22h-porphine-2,7,12,18-tetrapropanoic acid, 3,8,13-tris(carboxymethyl)-17-methyl-|3-[8,13,18-tris(2-carboxyethyl)-7,12,17-tris(carboxymethyl)-3-methyl-23,24-dihydroporphyrin-2-yl]propanoic acid|18-Methyl-2,7,12-tris(carboxymethyl)-21H,23H-porphyrin-3,8,13,17-tetrapropionic acid|21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13-tris(carboxymethyl)-17-methyl-|21H,23H-Porphine-2,7,12,18-tetrapropanoicacid, 3,8,13-tris(carboxymethyl)-17-methyl-|3,8,13-Tris(carboxymethyl)-17-methyl-21H,23H-porphyrin-2,7,12,18-tetrapropanoic acid|3,3',3'',3'''-[3,8,13-Tris(carboxymethyl)-17-methylporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid

Molecular Formula	C39H38N4O14
Molecular Weight	786.23846 g/mol
LogP	-0.1
Topological Polar Surface Area	318.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	16
Rotatable Bonds	18
Exact Mass	786.23846
Monoisotopic Mass	786.23846
Heavy Atoms	57
Complexity	1510.0

Chemical Identifiers

CAS Number	6341-18-0
SMILES	CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5CCC(=O)O)CC(=O)O)N4)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O
InChIKey	COSSFDPRQXSPBP-UHFFFAOYSA-N