(S)-(-)-4-Amino-2-hydroxybutyric Acid - ≥98%(T) , CAS No.40371-51-5

CAS: 40371-51-5 Cat. No.: S161042 Molecular Weight: 119.12 Beilstein Registry Number: 4(4)3170 EC Number: 670-305-7

GRADE & PURITY ≥98%(T)

Synonyms

IVUOMFWNDGNLBJ-VKHMYHEASA-N | (2S)-4-amino-2-hydroxybutanoic acid | 2Z3NQ8MG2T | Z1203578154 | (2S)-4-amino-2-hydroxybutyric acid | AC-1318 | L-gamma-Amino-alpha-hydroxybutyric acid | (S)-4-Amino-2-hydroxybutyric acid | L-(-)-gamma-Amino-alpha-hydroxybuty

Storage

Room temperature

Shipped In

Normal

Overview

(S)-(-)-4-Amino-2-hydroxybutyric acid is an important moiety of butirosin, an aminoglycoside antibiotic.

Specifications

Synonyms

IVUOMFWNDGNLBJ-VKHMYHEASA-N | (2S)-4-amino-2-hydroxybutanoic acid | 2Z3NQ8MG2T | Z1203578154 | (2S)-4-amino-2-hydroxybutyric acid | AC-1318 | L-gamma-Amino-alpha-hydroxybutyric acid | (S)-4-Amino-2-hydroxybutyric acid | L-(-)-gamma-Amino-alpha-hydroxybuty

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488192450
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192450
• Canonical Smiles: C(CN)C(C(=O)O)O
• IUPAC Name: (2S)-4-amino-2-hydroxybutanoic acid
• InChIKey: IVUOMFWNDGNLBJ-VKHMYHEASA-N
• INCHI: 1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
• Isomeric SMILES: C(CN)[C@@H](C(=O)O)O
• WGK Germany: 3
• Alternate CAS: 13477-53-7
• Molecular Weight: 119.12
• Beilstein: 4(4)3170
• Reaxy-Rn: 1721687
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721687&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Hydroxy fatty acids Amino fatty acids Monosaccharides Alpha hydroxy acids and derivatives 1,3-aminoalcohols Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gamma amino acid or derivatives - Amino fatty acid - Hydroxy fatty acid - Alpha-hydroxy acid - Hydroxy acid - Monosaccharide - Fatty acid - Fatty acyl - 1,3-aminoalcohol - Secondary alcohol - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Alcohol - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Primary amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma 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

• Specific Rotation[α]: -30° (C=1,H2O)
• Melt Point(°C): 200-203 °C
• Molecular Weight: 119.120 g/mol
• XLogP3: -3.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 119.058 Da
• Monoisotopic Mass: 119.058 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 83.400
• 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: 1