Boc-D-Asp(OMe)-OH - ≥95% , CAS No.124184-67-4

CAS: 124184-67-4 Cat. No.: B190260 Fórmula: C₁₀H₁₇NO₆ Peso molecular: 247.25 Número EC: 836-978-8

GRADE & PURITY ≥95%

Synonyms

MFCD11617949 | N-Boc-D-aspartic Acid 4-Methyl Ester | (2R)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid | AKOS022180199 | (2R)-2-{[(tert-butoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid | Boc-D-Asp(OMe)-OH | SCHEMBL2018992 | (

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD11617949 | N-Boc-D-aspartic Acid 4-Methyl Ester | (2R)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid | AKOS022180199 | (2R)-2-{[(tert-butoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid | Boc-D-Asp(OMe)-OH | SCHEMBL2018992 | (

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504767557

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767557

Sonrisas canónicas

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

IUPAC Name

(2R)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

InChIKey

WFPSMPYVXFVVFA-ZCFIWIBFSA-N

INCHI

1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m1/s1

Isómeros SMILES

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

Peso molecular

247.25

Reaxy-Rn

8980865

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8980865&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: Fatty acid methyl esters Branched fatty acids Dicarboxylic acids and derivatives Methyl esters 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 acid ester - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Fatty acyl - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - 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

• Peso molecular: 247.240 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 247.106 Da
• Monoisotopic Mass: 247.106 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 306.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 124184-67-4, the molecular formula is C10H17NO6, and the molecular weight is 247.25 g/mol. InChIKey WFPSMPYVXFVVFA-ZCFIWIBFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.