N-(tert-Butoxycarbonyl)-D-aspartic Acid - ≥98%(HPLC) , CAS No.62396-48-9

CAS: 62396-48-9 Cat. No.: I137310 Peso molecular: 233.22

GRADE & PURITY ≥98%(HPLC)

Synonyms

MFCD00798618 | N-(tert-Butoxycarbonyl)-D-aspartic Acid | A833758 | DS-15836 | N-Boc-D-aspartic Acid | N-Boc-D-asparticAcid | D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]- | B2965 | HY-42067 | (tert-Butoxycarbonyl)-D-aspartic acid | (2R)-2-[(TERT-BUTO

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00798618 | N-(tert-Butoxycarbonyl)-D-aspartic Acid | A833758 | DS-15836 | N-Boc-D-aspartic Acid | N-Boc-D-asparticAcid | D-Aspartic acid, N-[(1, 1-dimethylethoxy)carbonyl]- | B2965 | HY-42067 | (tert-Butoxycarbonyl)-D-aspartic acid | (2R)-2-[(TERT-BUTO

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488196148
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196148
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)O
• IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
• InChIKey: KAJBMCZQVSQJDE-RXMQYKEDSA-N
• INCHI: 1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@H](CC(=O)O)C(=O)O
• Peso molecular: 233.22
• Reaxy-Rn: 1913972
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1913972&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
            • Level7 Aspartic acid 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 - Alpha amino acids and derivatives
• Direct Parent: Aspartic acid and derivatives
• Alternative Parents: Branched fatty acids Dicarboxylic acids and derivatives Carbamate esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aspartic acid or derivatives - Branched fatty acid - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Carbamic acid ester - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Rotación específica [α]: 5.3° (C=1,MeOH)
• Peso molecular: 233.220 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 233.09 Da
• Monoisotopic Mass: 233.09 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 293.000
• 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

Referencias

1. Tsogzolmaa Ganbold, Gerile Gerile, Hai Xiao, Huricha Baigude.  (2017)  Efficient in vivo siRNA delivery by stabilized D-peptide-based lipid nanoparticles.  RSC Advances,  7  (15): (8823-8831).  [PMID:] [10.1039/C6RA25862J]