WST-5

Iupac Name：disodium;2-[[4-[2-(1,3-benzothiazol-2-yl)-3-[4-[4-[3-(1,3-benzothiazol-2-yl)-5-[4-[bis(2-sulfonatoethyl)carbamoyl]phenyl]tetrazol-2-ium-2-yl]-3-methoxyphenyl]-2-methoxyphenyl]tetrazol-3-ium-5-yl]benzoyl]-(2-sulfonatoethyl)amino]ethanesulfonate

CAS No.: 178925-55-8

Molecular Weight：1331.4

Modify Date.: 2022-11-25 13:57

Introduction: A highly sensitive tetrazolium reagent that produces a water-soluble diformazan (blue color) in NADH. WST-5 formazan l max = 580nm; e= 2.7 x 104 WST-5 Supplier View more+

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1. Names and Identifiers

1.1 Name: WST-5
1.2 Synonyms: 2,2'-(3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-(2-benzothiazolyl)-5-[4-[[bis(2-sulfoethyl)amino]carbonyl]phenyl]-2H-tetrazolium bis(inner salt) disodium salt 2,2'-(3,3'-DiMethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-(2-benzothiazolyl)-5-[4-[[bis(2-sulfoethyl)aMino]carbonyl]phenyl]-2H-tetrazoliuM Bis(inner salt) SodiuM Salt 2,2'-BITHIOPHENE-5,5'-DIBORONIC ACID PINACOL ESTER, disodium 2,2'-Dibenzothiazolyl-5,5'-bis(4-di(2-sulfoethyl)carbamoylphenyl 2,2''-DIBENZOTHIAZOLYL-5,5''-BIS(4-DI(2-SULFOETHYL)CARBAMOYLPHENYL)-3,3''-(3,3''-DIMETHOXY-4,4''-BIPHENYL 2,2''-Dibenzothiazolyl-5,5''-bis-[4-bis-(2-sulfoethyl)-carbamoylphenyl]-3,3''- 2,2'-Dibenzothiazolyl-5,5'-bis[4-di(2-sulfoethyl)carbamoylphenyl]-3,3'-(3,3'-dimethoxy-4,4'-biphenylene)ditetrazolium,disodiumsalt GLT005 WST-5

1.3 CAS No.: 178925-55-8

1.4 CID: 15250600

1.5 Molecular Formula: C52H44N12Na2O16S6 (isomer)

1.6 Inchi: InChI=1S/C52H46N12O16S6.2Na/c1-79-43-31-37(19-21-41(43)61-55-47(57-63(61)51-53-39-7-3-5-9-45(39)81-51)33-11-15-35(16-12-33)49(65)59(23-27-83(67,68)69)24-28-84(70,71)72)38-20-22-42(44(32-38)80-2)62-56-48(58-64(62)52-54-40-8-4-6-10-46(40)82-52)34-13-17-36(18-14-34)50(66)60(25-29-85(73,74)75)26-30-86(76,77)78;;/h3-22,31-32H,23-30H2,1-2H3,(H2-2,67,68,69,70,71,72,73,74,75,76,77,78);;/q;2*+1/p-2

1.7 InChIkey: XAZMYOQLNVTRPS-UHFFFAOYSA-L

1.8 Canonical Smiles: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3N=C(N=[N+]3C4=NC5=CC=CC=C5S4)C6=CC=C(C=C6)C(=O)N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])OC)N7N=C(N=[N+]7C8=NC9=CC=CC=C9S8)C1=CC=C(C=C1)C(=O)N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].[Na+].[Na+]

1.9 Isomers Smiles: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3N=C(N=[N+]3C4=NC5=CC=CC=C5S4)C6=CC=C(C=C6)C(=O)N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])OC)N7N=C(N=[N+]7C8=NC9=CC=CC=C9S8)C1=CC=C(C=C1)C(=O)N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].[Na+].[Na+]

2. Properties

2.1 Precise Quality: 1330.11000

2.1 PSA: 472.84000

2.1 logP: 7.02740

2.1 Appearance: solid

3. Use and Manufacturing

3.1 Usage: A highly sensitive tetrazolium reagent that produces a water-soluble diformazan (blue color) in NADH. WST-5 formazan l max = 580nm; e= 2.7 x 104 WST-5 Supplier

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: 36/37/38

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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6. Computational chemical data

Molecular Weight: 1331.4g/mol
Molecular Formula: C₅₂H₄₄N₁₂Na₂O₁₆S₆
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 1330.1117890
Monoisotopic Mass: 1330.1117890
Complexity: 2440
Rotatable Bond Count: 19
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 24
Topological Polar Surface Area: 473
Heavy Atom Count: 88
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 3
CACTVS Substructure Key Fingerprint: AAADcfB//jBwAAAAAAAAAAAAAAAAAWLFiwAwYMGDAAAAAFgB/gAAHgQIAAAADAzF3waz17cIFAquAydydHDT/KtlKjhcmD0/bNiOJrLktZuFMShkzhPI6aeYyPCOyAABAAAAEQCQAAIAAAAiAAAAAAAAAA==

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