L-Serine Benzyl Ester Hydrochloride - ≥98%(HPLC) , CAS No.60022-62-0

CAS: 60022-62-0 Cat. No.: S136204 Peso molecular: 231.68 Beilstein Registry Number: 6(4)2551

GRADE & PURITY ≥98%(HPLC)

Synonyms

15-HPETE, (RS)- | L-Serine, phenylmethyl ester, hydrochloride | serine benzyl ester hydrochloride | benzyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride | l-serine-benzyl ester-hcl | L-Serine benzyl ester HCl | MGZWCDQAKCHOBX-FVGYRXGTSA-N | DTXSID0051324

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

15-HPETE, (RS)- | L-Serine, phenylmethyl ester, hydrochloride | serine benzyl ester hydrochloride | benzyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride | l-serine-benzyl ester-hcl | L-Serine benzyl ester HCl | MGZWCDQAKCHOBX-FVGYRXGTSA-N | DTXSID0051324

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504767278
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767278
• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)C(CO)N.Cl
• IUPAC Name: benzyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
• InChIKey: MGZWCDQAKCHOBX-FVGYRXGTSA-N
• INCHI: 1S/C10H13NO3.ClH/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8;/h1-5,9,12H,6-7,11H2;1H/t9-;/m0./s1
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)[C@H](CO)N.Cl
• Peso molecular: 231.68
• Beilstein: 6(4)2551
• Reaxy-Rn: 3916944
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3916944&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 Benzyloxycarbonyls Beta hydroxy acids and derivatives Quaternary ammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic zwitterions Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Serine or derivatives - Benzyloxycarbonyl - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Quaternary ammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Primary aliphatic amine - Organic salt - Organic chloride salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homomonocyclic 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

• Solubilidad: Soluble in water
• Rotación específica [α]: -12° (C=1,H2O)
• Peso molecular: 231.670 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 231.066 Da
• Monoisotopic Mass: 231.066 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 178.000
• 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

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