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

CAS: 24276-84-4 Cat. No.: S422810 分子式: C₁₀H₉NaO₄ 分子量: 216.17 EC番号: 112-382-7 PubChem CID: 23669636

グレード＆純度 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

仕様

同義語

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

仕様と純度

Moligand™, 10mM in Water

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

名前と識別子

パブケム・シド

528776348

パブケム・シド・ウル

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

カノニカル・スマイル

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+;

異性体SMILES

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

PubChem CID

23669636

分子量

216.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 融点（°C）: >260° C
• 分子量: 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