5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)-21h,23h-porphine

Catalog Number	ACM127812082-2
CAS	127812-08-2
Structure
Synonyms	5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)porphyrin
IUPAC Name	2-[4-[10,15,20-tris[4-(carboxymethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]acetic acid
Molecular Weight	910.88
Molecular Formula	C52H38N4O12
Canonical SMILES	C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC(=O)O)C8=CC=C(C=C8)OCC(=O)O)C=C4)C9=CC=C(C=C9)OCC(=O)O)N3)OCC(=O)O
InChI	GIHZJFIAJYZVFA-UHFFFAOYSA-N
InChI Key	InChI=1S/C52H38N4O12/c57-45(58)25-65-33-9-1-29(2-10-33)49-37-17-19-39(53-37)50(30-3-11-34(12-4-30)66-26-46(59)60)41-21-23-43(55-41)52(32-7-15-36(16-8-32)68-28-48(63)64)44-24-22-42(56-44)51(40-20-18-38(49)54-40)31-5-13-35(14-6-31)67-27-47(61)62/h1-24,53,56H,25-28H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)
Purity	98%+
Appearance	Soild
Exact Mass	910.24862266
Heavy Atom Count	68
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	6
Monoisotopic Mass	910.24862266
Rotatable Bond Count	16
Topological Polar Surface Area	244 Ų