Boc-D-Dab-OH - ≥98% , CAS No.80445-78-9

CAS: 80445-78-9 Cat. No.: B590222 Fórmula: C₉H₁₈N₂O₄ Peso molecular: 218.25 Número EC: 966-036-2

GRADE & PURITY ≥98%

Synonyms

N-alpha-t-Butyloxycarbonyl-D-2,4-diaminobutyric acid (Boc-D-Dab-OH) | (R)-4-AMINO-2-(TERT-BUTOXYCARBONYLAMINO)BUTANOIC ACID | SCHEMBL2612149 | (2R)-4-Amino-2-(Boc-amino)butanoic acid | Boc-D-2,4-diaminobutyric acid | MFCD00798622 | (2R)-4-amino-2-[(2-meth

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

N-alpha-t-Butyloxycarbonyl-D-2,4-diaminobutyric acid (Boc-D-Dab-OH) | (R)-4-AMINO-2-(TERT-BUTOXYCARBONYLAMINO)BUTANOIC ACID | SCHEMBL2612149 | (2R)-4-Amino-2-(Boc-amino)butanoic acid | Boc-D-2,4-diaminobutyric acid | MFCD00798622 | (2R)-4-amino-2-[(2-meth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Desiccated

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

508806705

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508806705

Sonrisas canónicas

CC(C)(C)OC(=O)NC(CCN)C(=O)O

IUPAC Name

(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

InChIKey

MDCPCLPRWLKUIQ-ZCFIWIBFSA-N

INCHI

1S/C9H18N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m1/s1

Isómeros SMILES

CC(C)(C)OC(=O)N[C@H](CCN)C(=O)O

Peso molecular

218.25

Reaxy-Rn

2268796

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2268796&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: Branched fatty acids Quaternary ammonium salts Carbamate esters Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Branched fatty acid - Fatty acyl - Fatty acid - Quaternary ammonium salt - Carbamic acid ester - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Organic salt - 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: 218.250 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 218.127 Da
• Monoisotopic Mass: 218.127 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• 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