(S)-3-Amino-4-hydroxybutanoic acid - ≥97% , CAS No.16504-57-7

CAS: 16504-57-7 Cat. No.: S191379 Peso molecular: 119.12 Número EC: 804-939-4

GRADE & PURITY ≥97%

Synonyms

(-)-4-Hydroxy-3-aminobutyric acid | 68AF4296K8 | A-homoserine | HY-W040432 | (S)-3-Amino-4-hydroxybutanoic acid | Asp-ol | Butanoic acid, 3-amino-4-hydroxy-, (3S)- | (3S)-3-amino-4-hydroxybutanoic acid | 3-Amino-4-hydroxybutyric acid, (-)- | D-beta-homose

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(-)-4-Hydroxy-3-aminobutyric acid | 68AF4296K8 | A-homoserine | HY-W040432 | (S)-3-Amino-4-hydroxybutanoic acid | Asp-ol | Butanoic acid, 3-amino-4-hydroxy-, (3S)- | (3S)-3-amino-4-hydroxybutanoic acid | 3-Amino-4-hydroxybutyric acid, (-)- | D-beta-homose

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488191874
• Sonrisas canónicas: C(C(CO)N)C(=O)O
• IUPAC Name: (3S)-3-amino-4-hydroxybutanoic acid
• InChIKey: BUZICZZQJDLXJN-VKHMYHEASA-N
• INCHI: 1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
• Isómeros SMILES: C([C@@H](CO)N)C(=O)O
• Peso molecular: 119.12
• Reaxy-Rn: 1721705
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721705&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Fatty acids and conjugates Amino acids 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Short-chain hydroxy acid - Fatty acid - 1,2-aminoalcohol - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta 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

Propiedades químicas y físicas

• Peso molecular: 119.120 g/mol
• XLogP3: -4.100
• 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