DL-beta-Phenylserine - ≥98%, mixture of isomers , CAS No.1078-17-7

CAS: 1078-17-7 Cat. No.: D357309 Summenformel: C₉H₁₁NO₃ Molekulargewicht: 181.19 EG-Nummer: 622-497-9

GRADE & PURITY ≥98%, mixture of isomers

Synonyms

2-amino-3-hydroxy-3-phenylpropanoic acid | DL-beta-Phenylserine, threo form | dl-3-phenylserine | L-threo-3-Phenylserine | DL-threo-beta-Phenylserine | L-threo-phenylserine | DL-Threo-3-phenylserine | beta-Hydroxyphenylalanine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-amino-3-hydroxy-3-phenylpropanoic acid | DL-beta-Phenylserine, threo form | dl-3-phenylserine | L-threo-3-Phenylserine | DL-threo-beta-Phenylserine | L-threo-phenylserine | DL-Threo-3-phenylserine | beta-Hydroxyphenylalanine

Spezifikationen & Reinheit

≥98%, mixture of isomers

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488186807

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186807

Kanonisches Lächeln

C1=CC=C(C=C1)C(C(C(=O)O)N)O

IUPAC Name

2-amino-3-hydroxy-3-phenylpropanoic acid

InChIKey

VHVGNTVUSQUXPS-UHFFFAOYSA-N

INCHI

1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)

Isomere SMILES

C1=CC=C(C=C1)C(C(C(=O)O)N)O

Alternative CAS-Nummer

69-96-5

Molekulargewicht

181.19

Reaxy-Rn

2102175

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2102175&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Phenylpropanoic acids Alpha amino acids Beta hydroxy acids and derivatives Aralkylamines Benzene and substituted derivatives Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Beta-hydroxy acid - Aralkylamine - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Amino acid - Secondary alcohol - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic alcohol - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, and 0.5N HCI (50 mg/ml - clear, slightly yellow).
• Brechungsindex: n20D1.61 (Predicted)
• Siedepunkt (°C): ~398.0° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 288.01° C (Predicted)
• Molekulargewicht: 181.190 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 181.074 Da
• Monoisotopic Mass: 181.074 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 178.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1