Boc-d-2- 아미노아디핀산 - ≥95% , CAS No.110544-97-3

CAS: 110544-97-3 Cat. No.: B179394 분자식: C₁₁H₁₉NO₆ 분자량: 261.3

GRADE & PURITY ≥95%

Synonyms

C77761 | EN300-1589648 | Boc-(R)-2-aminoadipic acid | DTXSID10575451 | (R)-2-((tert-Butoxycarbonyl)amino)hexanedioic acid | Boc-D-a-aminoadipic acid | A894881 | AKOS025312279 | Boc-D-2-aminoadipic acid | MFCD00797554 | SCHEMBL3432850 | (2R)-2-[(2-methylpr

Storage

Room temperature

Shipped In

보통

Specifications

동의어

C77761 | EN300-1589648 | Boc-(R)-2-aminoadipic acid | DTXSID10575451 | (R)-2-((tert-Butoxycarbonyl)amino)hexanedioic acid | Boc-D-a-aminoadipic acid | A894881 | AKOS025312279 | Boc-D-2-aminoadipic acid | MFCD00797554 | SCHEMBL3432850 | (2R)-2-[(2-methylpr

사양 및 순도

≥95%

보관 조건

Room temperature

배송

보통

순수함

≥95%

이름과 식별자

정식 스마일

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

IUPAC Name

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioic acid

InChIKey

QDTDLMJRZPSKDM-SSDOTTSWSA-N

INCHI

1S/C11H19NO6/c1-11(2,3)18-10(17)12-7(9(15)16)5-4-6-8(13)14/h7H,4-6H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)/t7-/m1/s1

이성체 SMILES

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

분자량

261.3

Reaxy-Rn

31976552

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31976552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 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
• 분류: 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: Medium-chain fatty acids Branched fatty acids Amino fatty acids Dicarboxylic acids and derivatives Carbamate esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Carbamic acid ester - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 261.269 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 261.121 Da
• Monoisotopic Mass: 261.121 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 320.000
• 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