D-Tryptophan benzyl ester - ≥98% , CAS No.141595-98-4

CAS: 141595-98-4 Cat. No.: D472869 Fórmula: C₁₈H₁₈N₂O₂ Peso molecular: 294.35

GRADE & PURITY ≥98%

Synonyms

TYQYRKDGHAPZRF-MRXNPFEDSA-N | benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate | (R)-Benzyl 2-amino-3-(1H-indol-3-yl)propanoate | 2-Amino-3-(1H-indol-3-yl)-propionic acid benzyl ester | D-Tryptophan benzyl ester | BDBM50154574 | D-Tryptophan, phenylmethyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

TYQYRKDGHAPZRF-MRXNPFEDSA-N | benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate | (R)-Benzyl 2-amino-3-(1H-indol-3-yl)propanoate | 2-Amino-3-(1H-indol-3-yl)-propionic acid benzyl ester | D-Tryptophan benzyl ester | BDBM50154574 | D-Tryptophan, phenylmethyl

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504764462

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764462

Sorrisos canónicos

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N

IUPAC Name

benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate

InChIKey

TYQYRKDGHAPZRF-MRXNPFEDSA-N

INCHI

1S/C18H18N2O2/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17/h1-9,11,16,20H,10,12,19H2/t16-/m1/s1

SMILES isoméricas

C1=CC=C(C=C1)COC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N

WGK Alemanha

3

Peso molecular

294.35

Reaxy-Rn

491472

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=491472&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
            • Level7 Alpha amino acid esters

• 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 - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Indolyl carboxylic acids and derivatives Benzyloxycarbonyls 3-alkylindoles Fatty acid esters Aralkylamines Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Indolyl carboxylic acid derivative - Benzyloxycarbonyl - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Aralkylamine - Benzenoid - Substituted pyrrole - Fatty acyl - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Rotação específica [α]: [α]20/D −9.9°, c = 1 in ethanol
• Ponto de fusão (°C): 77-80 °C
• Peso molecular: 294.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 294.137 Da
• Monoisotopic Mass: 294.137 Da
• Topological Polar Surface Area: 68.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 368.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.