CAS 35218-75-8 TPPS Hydrate (=Tetraphenylporphyrin Tetrasulfonic Acid Hydrate) [Ultra-high sensitive spectrophotometric reagent for transition metals]

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TPPS Hydrate (=Tetraphenylporphyrin Tetrasulfonic Acid Hydrate) [Ultra-high sensitive spectrophotometric reagent for transition metals]

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Catalog Number

ACM35218758-3

CAS Number

35218-75-8

Product Name

TPPS Hydrate (=Tetraphenylporphyrin Tetrasulfonic Acid Hydrate) [Ultra-high sensitive spectrophotometric reagent for transition metals]

Structure

Category

Phthalocyanine Dyes, Porphyrin Dyes

IUPAC Name

4-[10,15,20-tris(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid

Molecular Weight

935g/mol

Molecular Formula

C44H30N4O12S4

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)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=C(C=C9)S(=O)(=O)O)N3)S(=O)(=O)O

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

Covalently-Bonded Unit Count

EC Number

254-262-8

Exact Mass

934.074307g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

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

934.074307g/mol

Rotatable Bond Count

XLogP3

5.4

MSDS

Download MSDS

COA

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Spec Sheet

Download Spec Sheet

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