D-Serine ethyl ester hydrochloride - ≥97% , CAS No.104055-46-1

CAS: 104055-46-1 Cat. No.: D188981 Peso molecular: 169.61 Número EC: 898-050-9

GRADE & PURITY ≥97%

Synonyms

AM82214 | D-Serine ethyl ester hydrochloride | (R)-Ethyl 2-amino-3-hydroxypropanoate hydrochloride (H-D-Ser-OEt.HCl) | FD3048 | H-D-Ser-OEt.HCl | D-beta-Hydroxyalanine ethyl ester hydrochloride | DS-14981 | D-SERINE ETHYL ESTER HCL | (R)-Ethyl 2-amino-3-h

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AM82214 | D-Serine ethyl ester hydrochloride | (R)-Ethyl 2-amino-3-hydroxypropanoate hydrochloride (H-D-Ser-OEt.HCl) | FD3048 | H-D-Ser-OEt.HCl | D-beta-Hydroxyalanine ethyl ester hydrochloride | DS-14981 | D-SERINE ETHYL ESTER HCL | (R)-Ethyl 2-amino-3-h

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488201796
• Sonrisas canónicas: CCOC(=O)C(CO)N.Cl
• IUPAC Name: ethyl (2R)-2-amino-3-hydroxypropanoate;hydrochloride
• InChIKey: JZJQCLZQSHLSFB-PGMHMLKASA-N
• INCHI: 1S/C5H11NO3.ClH/c1-2-9-5(8)4(6)3-7;/h4,7H,2-3,6H2,1H3;1H/t4-;/m1./s1
• Isómeros SMILES: CCOC(=O)[C@@H](CO)N.Cl
• Peso molecular: 169.61
• Reaxy-Rn: 3912402
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3912402&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 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• 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 - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Serine and derivatives Beta hydroxy acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Serine or derivatives - Beta-hydroxy acid - Hydroxy acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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: 169.610 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 169.051 Da
• Monoisotopic Mass: 169.051 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 94.200
• 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: 2

XLogP3