L-β-Homoserine - ≥98% , CAS No.16504-56-6

CAS: 16504-56-6 Cat. No.: H353181 Molecular Weight: 119.12

GRADE & PURITY ≥98%

Synonyms

AC-22091 | DS-10618 | beta-Homoserine | D-Asp-ol | SCHEMBL288980 | CHEBI:41011 | (3R)-3-azanyl-4-oxidanyl-butanoic acid | 1LQR9P3VGF | AM20080465 | A810615 | Butyric acid, 3-amino-4-hydroxy-, (+)- | BUZICZZQJDLXJN-GSVOUGTGSA-N | 3-Amino-4-hydroxybutyric a

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AC-22091 | DS-10618 | beta-Homoserine | D-Asp-ol | SCHEMBL288980 | CHEBI:41011 | (3R)-3-azanyl-4-oxidanyl-butanoic acid | 1LQR9P3VGF | AM20080465 | A810615 | Butyric acid, 3-amino-4-hydroxy-, (+)- | BUZICZZQJDLXJN-GSVOUGTGSA-N | 3-Amino-4-hydroxybutyric a

Specifications & Purity

≥98%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488191877
• Canonical Smiles: C(C(CO)N)C(=O)O
• IUPAC Name: (3R)-3-amino-4-hydroxybutanoic acid
• InChIKey: BUZICZZQJDLXJN-GSVOUGTGSA-N
• INCHI: 1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
• Isomeric SMILES: C([C@H](CO)N)C(=O)O
• WGK Germany: 3
• Molecular Weight: 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
    • Class 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
• Class: 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
• Description: 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: beta-amino acid - hydroxy monocarboxylic acid

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: light & Moisture sensitive
• Molecular Weight: 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