Sodium ferulate - 10mM in Water , CAS No.24276-84-4

CAS: 24276-84-4 Cat. No.: S422810 Fórmula: C₁₀H₉NaO₄ Peso molecular: 216.17 Número CE: 112-382-7 PubChem CID: 23669636

GRAU & PUREZA Moligand™, 10mM in Water

Synonyms

CHEBI:114954 | ferulic acid sodium | HY-N0060A | Cinnamic acid, 4-hydroxy-3-methoxy-, monosodium salt | s4740 | sodium (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | Monosodium 4-hydroxy-3-methoxycinnamate | Ferulic acid (sodium) | ferulic acid sodium

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificações

Sinónimos

CHEBI:114954 | ferulic acid sodium | HY-N0060A | Cinnamic acid, 4-hydroxy-3-methoxy-, monosodium salt | s4740 | sodium (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | Monosodium 4-hydroxy-3-methoxycinnamate | Ferulic acid (sodium) | ferulic acid sodium

Especificações e pureza

Moligand™, 10mM in Water

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Nomes e identificadores

Pubchem Sid

528776348

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528776348

Sorrisos canónicos

COC1=C(C=CC(=C1)C=CC(=O)[O-])O.[Na+]

IUPAC Name

sodium;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

InChIKey

NCTHNHPAQAVBEB-WGCWOXMQSA-M

INCHI

1S/C10H10O4.Na/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2-6,11H,1H3,(H,12,13);/q;+1/p-1/b5-3+;

SMILES isoméricas

COC1=C(C=CC(=C1)/C=C/C(=O)[O-])O.[Na+]

PubChem CID

23669636

Peso molecular

216.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxycinnamic acids
• Alternative Parents: Coumaric acids and derivatives Cinnamic acids Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Coumaric acid or derivatives - Hydroxycinnamic acid - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic sodium salt - Organic salt - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.
• 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

Propriedades químicas e físicas

• Ponto de fusão (°C): >260° C
• Peso molecular: 216.170 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 216.04 Da
• Monoisotopic Mass: 216.04 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 229.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3