Sodium D-Pantothenate - ≥99% , CAS No.867-81-2

CAS: 867-81-2 Cat. No.: S300915 Peso molecular: 241.22 Número EC: 212-768-6

GRADE & PURITY ≥99%

Synonyms

Panthoject | Tox21_302487 | beta-Alanine, N-((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, monosodium salt | D11519 | (S-((R*,S*-(E)))-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl) amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

D-Pantothenic acid sodium (Sodium pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid sodium plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism

Specifications

Sinónimos

Panthoject | Tox21_302487 | beta-Alanine, N-((2R)-2, 4-dihydroxy-3, 3-dimethyl-1-oxobutyl)-, monosodium salt | D11519 | (S-((R*, S*-(E)))-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl) amino)-5-pyrimidinyl)-3, 5-dihydroxy-6-heptenoic acid,

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Na+]
• IUPAC Name: sodium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
• InChIKey: GQTHJBOWLPZUOI-FJXQXJEOSA-M
• INCHI: 1S/C9H17NO5.Na/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+1/p-1/t7-;/m0./s1
• Isómeros SMILES: CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Na+]
• CAS alternativo: 79-83-4
• Peso molecular: 241.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: N-acyl amines Monosaccharides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Fatty amide - Fatty acyl - Monosaccharide - N-acyl-amine - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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

• Solubilidad: Soluble in water
• Sensibilidad: Heat & Moisture Sensitive
• Rotación específica [α]: 27° (C=5,H2O)
• Punto de fusión (°C): 124 °C
• Peso molecular: 241.220 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 241.093 Da
• Monoisotopic Mass: 241.093 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 244.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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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