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Catalog Number
ACM35218758-4
Product Name
TPPS
Structure
CAS
35218-75-8
Category
Porphyrin-A4-porphyrin
IUPAC Name
4-[10,15,20-tris(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
Molecular Weight
935.0g/mol
Molecular Formula
C44H30N4O12S4
InChI
InChI=1S/C44H30N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45,48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)
InChI Key
PBHVCRIXMXQXPD-UHFFFAOYSA-N
Complexity
1770
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Deprecated CAS
78985-28-1, 80202-44-4, 87897-62-9, 88878-17-5, 551772-37-3, 927911-98-6
EC Number
254-262-8
Exact Mass
934.07430710g/mol
Formal Charge
0
Heavy Atom Count
64
Hydrogen Bond Acceptor Count
14
Hydrogen Bond Donor Count
6
Isotope Atom Count
0
MeSH Entry Terms
4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonic acid);5,10,15,20-tetrakis(4-sulfonatophenyl)porphine;5,10,15,20-tetrakis(4-sulphophenyl)-porphine dodecahydrate;Fe(III)TPPS;ferric TPPS;iron(III) tetra-4-sulfophenylporphine;manganese(III) meso-tetra(4-sulfonatophenyl)porphine;meso-tetra(4-sulfonatophenyl)porphine;meso-tetra(p-sulfophenyl)porphine;MnTPPS;NSC 177391;T4SPP;tetrakis(4-sulfonatophenyl)porphyrin;tetraphenylporphine sulfonate;tetraphenylporphine sulfonate, tetrasodium salt;TPPS;TPPS(4);TPPS4;TSPP;WR 247188;WR 247189;zinc-tetra(p-sulfophenyl)porphine
Monoisotopic Mass
934.07430710g/mol
Rotatable Bond Count
8
Stability
4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-Benzenesulfonic acid
Topological Polar Surface Area
308Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
5.4
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