Boc-Phg-OH - ≥98% , CAS No.2900-27-8

CAS: 2900-27-8 Cat. No.: B109237 Fórmula: C₁₃H₁₇NO₄ Peso molecular: 251.28 Beilstein Registry Number: 3592362 Número CE: 691-414-6

GRADE & PURITY ≥98%

Synonyms

(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetic acid | B3211 | N-BOC-L-ALPHA-PHENYLGLYCINE | Boc-L-Phg-OH | Boc-Phg-OH | Boc-Phg-OH, >=99.0% (T) | (S)-2-((tert-Butoxycarbonyl)amino)-2-phenylacetic acid | M03228 | J-017350 | NSC-5953 | (S)-BOC-L-PHENY

Storage

Room temperature

Shipped In

Normal

Visão geral

Application

Boc-L-Phg-OH, is an amino acid building block used in peptide synthesis. With a growing peptide drug market the fast, reliable synthesis of peptides is of great importance.

Specifications

Sinónimos

(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetic acid | B3211 | N-BOC-L-ALPHA-PHENYLGLYCINE | Boc-L-Phg-OH | Boc-Phg-OH | Boc-Phg-OH, >=99.0% (T) | (S)-2-((tert-Butoxycarbonyl)amino)-2-phenylacetic acid | M03228 | J-017350 | NSC-5953 | (S)-BOC-L-PHENY

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488197053

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197053

Sorrisos canónicos

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)O

IUPAC Name

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid

InChIKey

HOBFSNNENNQQIU-JTQLQIEISA-N

INCHI

1S/C13H17NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1

SMILES isoméricas

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)C(=O)O

WGK Alemanha

3

Peso molecular

251.28

Beilstein

3592362

Reaxy-Rn

529873

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=529873&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Benzene and substituted derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water; Soluble in Methanol
• Rotação específica [α]: [α]D 142° (C=1,EtOH)
• Ponto de fusão (°C): 88-91°C
• Peso molecular: 251.280 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 251.116 Da
• Monoisotopic Mass: 251.116 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303.000
• 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: 1