Flavonol-2'-sulfonato de sodio hidrato [para la determinación de Sn, Zr] - ≥98%(T) , CAS No.77125-87-2

CAS: 77125-87-2 Cat. No.: S161352 Peso molecular: 340.28 PubChem CID: 44630295

GRADE & PURITY ≥98%(T)

Synonyms

sal sódica del ácido 3-hidroxiflavona-2'-sulfónico | DTXSID30659909 | F0184 | Hidrato de flavonol-2'-sulfonato sódico [para la determinación de Sn, Zr] | 2-(3-hidroxi-4-oxo-4H-1-benzopiran-2-il)benceno-1-sulfonato sódico | Sal sódica del ácido flavonol-2'

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

sal sódica del ácido 3-hidroxiflavona-2'-sulfónico | DTXSID30659909 | F0184 | Hidrato de flavonol-2'-sulfonato sódico [para la determinación de Sn, Zr] | 2-(3-hidroxi-4-oxo-4H-1-benzopiran-2-il)benceno-1-sulfonato sódico | Sal sódica del ácido flavonol-2'

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3S(=O)(=O)[O-])O.[Na+]
• IUPAC Name: sodium;2-(3-hydroxy-4-oxochromen-2-yl)benzenesulfonate
• InChIKey: BAUFCGCZFJQCFG-UHFFFAOYSA-M
• INCHI: 1S/C15H10O6S.Na/c16-13-9-5-1-3-7-11(9)21-15(14(13)17)10-6-2-4-8-12(10)22(18,19)20;/h1-8,17H,(H,18,19,20);/q;+1/p-1
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3S(=O)(=O)[O-])O.[Na+]
• PubChem CID: 44630295
• Peso molecular: 340.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonols
• Alternative Parents: 3-hydroxyflavonoids Chromones Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Pyranones and derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-hydroxyflavone - 3-hydroxyflavonoid - Hydroxyflavonoid - Chromone - Benzopyran - Benzenesulfonate - 1-benzopyran - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organoheterocyclic compound - Organic alkali metal salt - Oxacycle - Organic salt - Organosulfur compound - Organooxygen compound - Organic sodium salt - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as flavonols. These are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
• 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: 340.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 340.002 Da
• Monoisotopic Mass: 340.002 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 594.000
• 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: 2

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