3-Hydroxypropionic Acid Sodium Salt - Moligand™,≥95% , CAS No.6487-38-3

CAS: 6487-38-3 Cat. No.: H769977 Molecular Weight: 112.06

GRADE & PURITY Moligand™, ≥95%

Synonyms

3-Hydroxypropionic acid (sodium) | 3-hydroxy-propanoic acid, monosodium salt | Sodium β-hydroxypropionate | β-Hydroxypropionic acid sodium salt | β-Lactic acid sodium salt

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

3-Hydroxypropionic acid is a building block in the synthesis of a variety of compounds with industrial applications, including acrylic acid, acrylamide, and 1,3-propanediol. Accumulation of 3-hydroxypropionic acid is also used as a biomarker of defects in propionic acid and branched-chain amino acid catabolism in patients with methylmalonic acidemia or propionic acidemia.

Specifications

Synonyms

3-Hydroxypropionic acid (sodium) | 3-hydroxy-propanoic acid, monosodium salt | Sodium β-hydroxypropionate | β-Hydroxypropionic acid sodium salt | β-Lactic acid sodium salt

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(CO)C(=O)[O-].[Na+]
• IUPAC Name: sodium;3-hydroxypropanoate
• InChIKey: AVXDKPABPXSLIZ-UHFFFAOYSA-M
• INCHI: 1S/C3H6O3.Na/c4-2-1-3(5)6;/h4H,1-2H2,(H,5,6);/q;+1/p-1
• Isomeric SMILES: C(CO)C(=O)[O-].[Na+]
• Alternate CAS: 503-66-2
• Molecular Weight: 112.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Carboxylic acid salt - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organic zwitterion - Primary alcohol - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 112.060 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 112.014 Da
• Monoisotopic Mass: 112.014 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.100
• 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

XLogP3