Water-soluble tetrazolium-5 - Biochemical, Biological Stain , CAS No.178925-55-8

CAS: 178925-55-8 Cat. No.: W113063 Peso molecular: 1331.36 PubChem CID: 15250600

GRADE & PURITY Biochemical, Biological Stain

Synonyms

AC-36407 | Disodium 2,2',2'',2'''-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis{[3-(1,3-benzothiazol-2-yl)-2H-tetrazol-3-ium-2,5-diyl]-4,1-phenylenecarbonylnitrilo}]tetra(ethane-1-sulfonate) | AKOS015903155 | WST-5 | disodium;2-[[4-[2-(1,3-benzothiazol-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AC-36407 | Disodium 2, 2', 2'', 2'''-[(3, 3'-dimethoxy[1, 1'-biphenyl]-4, 4'-diyl)bis{[3-(1, 3-benzothiazol-2-yl)-2H-tetrazol-3-ium-2, 5-diyl]-4, 1-phenylenecarbonylnitrilo}]tetra(ethane-1-sulfonate) | AKOS015903155 | WST-5 | disodium;2-[[4-[2-(1, 3-benzothiazol-2-

Especificaciones y pureza

Biochemical, Biological Stain

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Biochemical, Biological Stain

Nombres e identificadores

• Sonrisas canónicas: 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+]
• 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-3-ium-2-yl]-3-methoxyphenyl]-2-methoxyphenyl]tetrazol-2-ium-5-yl]benzoyl]-(2-sulfonatoethyl)amino]ethanesulfonate
• InChIKey: XAZMYOQLNVTRPS-UHFFFAOYSA-L
• 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
• Isómeros 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+]
• PubChem CID: 15250600
• Peso molecular: 1331.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenyltetrazoles and derivatives Benzamides Benzothiazoles Methoxyanilines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Alkanesulfonic acids Sulfonyls Heteroaromatic compounds Tertiary carboxylic acid amides Thiazoles Organosulfonic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic sodium salts Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Phenyltetrazole - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Alkyl aryl ether - Heteroaromatic compound - Azole - Alkanesulfonic acid - Thiazole - Tetrazole - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 1331.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 19
• Exact Mass: 1330.11 Da
• Monoisotopic Mass: 1330.11 Da
• Topological Polar Surface Area: 473.000 Ų
• Heavy Atom Count: 88
• Formal Charge: 0
• Complexity: 2440.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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