ボック・サル・オス - ≥98% , CAS No.80621-90-5

CAS: 80621-90-5 Cat. No.: B186702 分子式: C₁₂H₁₈N₂O₆ 分子量: 286.3

GRADE & PURITY ≥98%

Synonyms

DTXSID40448548 | Boc-N-Me-Gly-OSu | 2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)-N-methylglycinate | Boc-Sar-OSu | 2,5-dioxo-1-pyrrolidinyl n-methyl-n-(((2-methyl-2-propanyl)oxy)carbonyl)glycinate | 2,5-Dioxo-1-pyrrolidinyl N-methyl-N-{[(2-methyl-2-pr

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

DTXSID40448548 | Boc-N-Me-Gly-OSu | 2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)-N-methylglycinate | Boc-Sar-OSu | 2,5-dioxo-1-pyrrolidinyl n-methyl-n-(((2-methyl-2-propanyl)oxy)carbonyl)glycinate | 2,5-Dioxo-1-pyrrolidinyl N-methyl-N-{[(2-methyl-2-pr

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

カノニカル・スマイル

CC(C)(C)OC(=O)N(C)CC(=O)ON1C(=O)CCC1=O

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

InChIKey

FVEKCHUPMRHPKK-UHFFFAOYSA-N

INCHI

1S/C12H18N2O6/c1-12(2,3)19-11(18)13(4)7-10(17)20-14-8(15)5-6-9(14)16/h5-7H2,1-4H3

異性体SMILES

CC(C)(C)OC(=O)N(C)CC(=O)ON1C(=O)CCC1=O

分子量

286.3

Reaxy-Rn

5880752

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5880752&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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
• 分類: 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: Pyrrolidine-2-ones Dicarboximides Carbamate esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carbamic acid ester - Lactam - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 286.280 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 286.116 Da
• Monoisotopic Mass: 286.116 Da
• Topological Polar Surface Area: 93.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 424.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% 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 80621-90-5, the molecular formula is C12H18N2O6, and the molecular weight is 286.3 g/mol. InChIKey FVEKCHUPMRHPKK-UHFFFAOYSA-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.