Boc-3-(9-anthryl)-L-alanine - ≥98% , CAS No.332065-09-5

CAS: 332065-09-5 Cat. No.: B355858 Peso molecular: 365.42

GRADE & PURITY ≥98%

Synonyms

Boc-beta-(9-anthryl)-Ala-OH, purum, >=96.0% (HPLC) | (S)-3-(Anthracen-9-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid | BOC-L-9-ANTHRYLALANINE | (2S)-3-(anthracen-9-yl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid | (2S)-3-anthracen-9-yl-2-[(2-methyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Boc-beta-(9-anthryl)-Ala-OH, purum, >=96.0% (HPLC) | (S)-3-(Anthracen-9-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid | BOC-L-9-ANTHRYLALANINE | (2S)-3-(anthracen-9-yl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid | (2S)-3-anthracen-9-yl-2-[(2-methyl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764640
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764640
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)O
• IUPAC Name: (2S)-3-anthracen-9-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• InChIKey: GYXDEFFXDFOZMJ-IBGZPJMESA-N
• INCHI: 1S/C22H23NO4/c1-22(2,3)27-21(26)23-19(20(24)25)13-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-12,19H,13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)O
• Peso molecular: 365.42
• Reaxy-Rn: 5135193
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5135193&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Alpha amino acids and derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Alpha-amino acid or derivatives - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

• Peso molecular: 365.400 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 365.163 Da
• Monoisotopic Mass: 365.163 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 519.000
• 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