BOC-D-Serine methyl ester - ≥98% , CAS No.95715-85-8

CAS: 95715-85-8 Cat. No.: B117177 Fórmula: C₉H₁₇NO₅ Peso molecular: 219.23 Número CE: 810-610-6

GRAU & PUREZA ≥98%

Synonyms

M06200 | METHYL N-BOC-D-SERINATE | Q-101716 | AC-24070 | EN300-332246 | NSC659314 | tert-butyl (R)-1-(methoxycarbonyl)-2-hydroxyethylcarbamate | PD196118 | Z57683736 | BOC-D-SER-OME | B4859 | N-BOC-D-Serine methyl ester | methyl (2R)-2-{[(tert-butoxy)carb

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

M06200 | METHYL N-BOC-D-SERINATE | Q-101716 | AC-24070 | EN300-332246 | NSC659314 | tert-butyl (R)-1-(methoxycarbonyl)-2-hydroxyethylcarbamate | PD196118 | Z57683736 | BOC-D-SER-OME | B4859 | N-BOC-D-Serine methyl ester | methyl (2R)-2-{[(tert-butoxy)carb

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488189659

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189659

Sorrisos canónicos

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

IUPAC Name

methyl (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

InChIKey

SANNKFASHWONFD-ZCFIWIBFSA-N

INCHI

1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)/t6-/m1/s1

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

219.23

Reaxy-Rn

1964834

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1964834&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 Alpha amino acid esters

• 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: Alpha amino acid esters
• Alternative Parents: Serine and derivatives Beta hydroxy acids and derivatives Methyl esters Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Serine or derivatives - Beta-hydroxy acid - Hydroxy acid - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

• Índice de refração: 1.45
• Rotação específica [α]: 19° (C=5,MeOH)
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): >230 °F
• Ponto de ebulição (°C): 215°C
• Peso molecular: 219.230 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 219.111 Da
• Monoisotopic Mass: 219.111 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 233.000
• 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