Boc-Cha-OMe - ≥98% , CAS No.98105-41-0

CAS: 98105-41-0 Cat. No.: B472685 分子式: C₁₅H₂₇NO₄ 分子量: 285.38

GRADE & PURITY ≥98%

Synonyms

methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-cyclohexylpropanoate | methyl (2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | Cyclohexanepropanoicacid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester,(as)- | (S)-methyl 2-(tert-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-cyclohexylpropanoate | methyl (2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | Cyclohexanepropanoicacid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester,(as)- | (S)-methyl 2-(tert-

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)OC
• IUPAC Name: methyl (2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• InChIKey: FALUXMVPGFKLAM-LBPRGKRZSA-N
• INCHI: 1S/C15H27NO4/c1-15(2,3)20-14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3,(H,16,18)/t12-/m0/s1
• 異性体SMILES: CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)OC
• WGKドイツ: 3
• 分子量: 285.38
• Reaxy-Rn: 13863817
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13863817&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
            • Level7 Alpha amino acid esters

• 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 - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Fatty acid esters Methyl esters Carbamate esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 285.380 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 285.194 Da
• Monoisotopic Mass: 285.194 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 329.000
• 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