Boc-D-Chg-OH - ≥98% , CAS No.70491-05-3

CAS: 70491-05-3 Cat. No.: B117169 분자식: C₁₃H₂₃NO₄ 분자량: 257.33 Beilstein Registry Number: 7689661 EC 번호: 965-884-0

GRADE & PURITY ≥98%

Synonyms

EN300-7383673 | n-boc-d-cyclohexylglycine | SCHEMBL844822 | Boc-D-Chg-OH, >=98.0% (TLC) | Boc-(D)-Chg-OH | Boc-D-Chg-OH,Nonhydrate | (2r)-2-cyclohexyl-2-((2-methylpropan-2-yl)oxycarbonylamino)acetic acid | Boc-D-Chg-OH | N-Boc-D-2-cyclohexylglycine | boc-

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

EN300-7383673 | n-boc-d-cyclohexylglycine | SCHEMBL844822 | Boc-D-Chg-OH, >=98.0% (TLC) | Boc-(D)-Chg-OH | Boc-D-Chg-OH,Nonhydrate | (2r)-2-cyclohexyl-2-((2-methylpropan-2-yl)oxycarbonylamino)acetic acid | Boc-D-Chg-OH | N-Boc-D-2-cyclohexylglycine | boc-

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488196034

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196034

정식 스마일

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)O

IUPAC Name

(2R)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

InChIKey

QSUXZIPXYDQFCX-SNVBAGLBSA-N

INCHI

1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m1/s1

이성체 SMILES

CC(C)(C)OC(=O)N[C@H](C1CCCCC1)C(=O)O

WGK 독일

3

분자량

257.33

Beilstein

7689661

Reaxy-Rn

5908163

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5908163&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: Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic 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

• 특정 회전[α]: 11° (C=1,MeOH)
• 녹는점(°C): 75°C(lit.)
• 분자량: 257.329 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 257.163 Da
• Monoisotopic Mass: 257.163 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303.000
• 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