Boc-Asp-OMe - ≥97% , CAS No.98045-03-5

CAS: 98045-03-5 Cat. No.: B196137 Fórmula: C₁₀H₁₇NO₆ Peso molecular: 247.25 Número CE: 868-054-5

GRADE & PURITY ≥97%

Synonyms

IWFIVTBTZUCTQH-LURJTMIESA-N | BOC-ASP-OME | SCHEMBL1277727 | EN300-256054 | (S)-3-[(t-butoxycarbonyl)amino]-4-methoxy-4-oxobutanoic acid | Boc-L-aspartic acid 1-methyl ester | DS-9771 | M2970 | AKOS025289417 | N-Boc-L-aspartic Acid 1-Methyl Ester | (3S)-3

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Specifications

Sinónimos

IWFIVTBTZUCTQH-LURJTMIESA-N | BOC-ASP-OME | SCHEMBL1277727 | EN300-256054 | (S)-3-[(t-butoxycarbonyl)amino]-4-methoxy-4-oxobutanoic acid | Boc-L-aspartic acid 1-methyl ester | DS-9771 | M2970 | AKOS025289417 | N-Boc-L-aspartic Acid 1-Methyl Ester | (3S)-3

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504765897
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765897
• Sorrisos canónicos: CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)OC
• IUPAC Name: (3S)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
• InChIKey: IWFIVTBTZUCTQH-LURJTMIESA-N
• INCHI: 1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(5-7(12)13)8(14)16-4/h6H,5H2,1-4H3,(H,11,15)(H,12,13)/t6-/m0/s1
• SMILES isoméricas: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)OC
• Peso molecular: 247.25
• Reaxy-Rn: 6651443
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6651443&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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: Alpha amino acid esters Fatty acid 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 - Alpha-amino acid ester - Branched fatty acid - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: heat sensitive
• Rotação específica [α]: -21° (C=1,MeOH)
• Ponto de fusão (°C): 89 °C
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 98045-03-5, the molecular formula is C10H17NO6, and the molecular weight is 247.25 g/mol. InChIKey IWFIVTBTZUCTQH-LURJTMIESA-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.