N-(Triphenylmethyl)-DL-serine Methyl Ester - ≥98% , CAS No.13515-76-9

CAS: 13515-76-9 Cat. No.: N159112 Peso molecular: 361.44

GRADE & PURITY ≥98%

Synonyms

N-(Triphenylmethyl)-DL-serine Methyl Ester | methyl 3-hydroxy-2-(tritylamino)propanoate | 3-hydroxy-2-(tritylamino)-propionic acid methyl ester | SY316559 | MFCD00192570 | N-Trityl-DL-serine Methyl Ester | SY036433 | N-(Triphenylmethyl)-DL-serinemethylest

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

N-(Triphenylmethyl)-DL-serine Methyl Ester | methyl 3-hydroxy-2-(tritylamino)propanoate | 3-hydroxy-2-(tritylamino)-propionic acid methyl ester | SY316559 | MFCD00192570 | N-Trityl-DL-serine Methyl Ester | SY036433 | N-(Triphenylmethyl)-DL-serinemethylest

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504758276
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758276
• Sonrisas canónicas: COC(=O)C(CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: methyl 3-hydroxy-2-(tritylamino)propanoate
• InChIKey: LXAWQKKSNNYYEK-UHFFFAOYSA-N
• INCHI: 1S/C23H23NO3/c1-27-22(26)21(17-25)24-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24-25H,17H2,1H3
• Isómeros SMILES: COC(=O)C(CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
• Peso molecular: 361.44
• Reaxy-Rn: 2821840
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2821840&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Alpha amino acid esters Serine and derivatives Beta hydroxy acids and derivatives Aralkylamines Benzene and substituted derivatives Methyl esters Monocarboxylic acids and derivatives Dialkylamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Alpha-amino acid ester - Serine or derivatives - Alpha-amino acid or derivatives - Beta-hydroxy acid - Aralkylamine - Monocyclic benzene moiety - Hydroxy acid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

• Punto de fusión (°C): 146 °C
• Peso molecular: 361.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 361.168 Da
• Monoisotopic Mass: 361.168 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 403.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1