Boc-L-6-hydroxynorleucine - ≥98% , CAS No.77611-37-1

CAS: 77611-37-1 Cat. No.: B483816 Peso molecular: 247.29

GRADE & PURITY ≥98%

Synonyms

BRFDKSWARKFUGQ-QMMMGPOBSA-N | DTXSID10463788 | MFCD01862292 | 6-Hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-norleucine | (S)-2-(tert-butoxycarbonylamino)-6-hydroxyhexanoic acid | N-t-butoxycarbonyl-6-hydroxynorleucine | Boc-L-6-hydroxynorleucine, Ald

Storage

Room temperature

Specifications

Sinónimos

BRFDKSWARKFUGQ-QMMMGPOBSA-N | DTXSID10463788 | MFCD01862292 | 6-Hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-norleucine | (S)-2-(tert-butoxycarbonylamino)-6-hydroxyhexanoic acid | N-t-butoxycarbonyl-6-hydroxynorleucine | Boc-L-6-hydroxynorleucine, Ald

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488197444
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CCCCO)C(=O)O
• IUPAC Name: (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
• InChIKey: BRFDKSWARKFUGQ-QMMMGPOBSA-N
• INCHI: 1S/C11H21NO5/c1-11(2,3)17-10(16)12-8(9(14)15)6-4-5-7-13/h8,13H,4-7H2,1-3H3,(H,12,16)(H,14,15)/t8-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CCCCO)C(=O)O
• Peso molecular: 247.29
• Reaxy-Rn: 5743846
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5743846&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Hydroxy fatty acids Branched fatty acids Amino fatty acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Medium-chain hydroxy acid - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 247.290 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 247.142 Da
• Monoisotopic Mass: 247.142 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 259.000
• 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