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

CAS: 24276-84-4 Cat. No.: S422810 Molecular Weight: 216.17 EC Number: 112-382-7 PubChem CID: 23669636

GRADE & PURITY 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

Specifications

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

Specifications & Purity

10mM in Water

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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+
• Isomeric SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)[O-])O.[Na+]
• PubChem CID: 23669636
• Molecular Weight: 216.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): >260° C
• Molecular Weight: 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

References

1. Wenjing Guo, Yuanyuan Li, Daoguang An, Min Zhou, Jianming Xiong, Zhijun Jiang, Yimei Ding, Rongrong Huang, Wenjun Miao.  (2022)  Sodium ferulate-functionalized silver nanopyramides with synergistic antithrombotic activity for thromboprophylaxis.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:36265316] [10.1016/j.colsurfb.2022.112925]