Synonyms
KS-000018JO; ACMC-209bcx; CTK4B5740; ACetic acid, 2,2',2'',2'''-[21H,23H-porphine-5,10,15,20-tetrayltetrakis(4,1-phenyleneoxy)]tetrakis-; J-005545; 127812-08-2; 5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)-21H,23H-porphine; AKOS015836292; meso-Tetrakis[4-(carboxymethyleneoxy)phenyl]porphrin;
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
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);
InChI Key
GIHZJFIAJYZVFA-UHFFFAOYSA-N;
Purity
>95.0%(T)
Complexity
1440
Covalently-Bonded Unit Count
1
Exact Mass
910.249g/mol
H-Bond Acceptor
14
H-Bond Donor
6
Heavy Atom Count
68
Monoisotopic Mass
910.249g/mol
Rotatable Bond Count
16
Topological Polar Surface Area
244A^2
