N-(Triphenylmethyl)-L-serine Methyl Ester - ≥98% , CAS No.4465-44-5

CAS: 4465-44-5 Cat. No.: N159111 Molecular Weight: 361.44

GRADE & PURITY ≥98%

Synonyms

J-523774 | LXAWQKKSNNYYEK-NRFANRHFSA-N | Trt-Ser-OMe | AMY16012 | MFCD00192570 | AKOS015891253 | DTXSID801271054 | (S)-Methyl 3-Hydroxy-2-(N-tritylamino)propanoate | methyl N-trityl-L-serinate | N-(Triphenylmethyl)-L-serine Methyl Ester | N-Trityl-L-serin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

J-523774 | LXAWQKKSNNYYEK-NRFANRHFSA-N | Trt-Ser-OMe | AMY16012 | MFCD00192570 | AKOS015891253 | DTXSID801271054 | (S)-Methyl 3-Hydroxy-2-(N-tritylamino)propanoate | methyl N-trityl-L-serinate | N-(Triphenylmethyl)-L-serine Methyl Ester | N-Trityl-L-serin

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC(=O)C(CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: methyl (2S)-3-hydroxy-2-(tritylamino)propanoate
• InChIKey: LXAWQKKSNNYYEK-NRFANRHFSA-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/t21-/m0/s1
• Isomeric SMILES: COC(=O)[C@H](CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
• WGK Germany: 3
• Molecular Weight: 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
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 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 - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Specific Rotation[α]: 33° (C=1,MeOH)
• Melt Point(°C): 148 °C
• Molecular Weight: 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: 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