D-allo-Isoleucine - ≥98% , CAS No.1509-35-9

CAS: 1509-35-9 Cat. No.: I113995 Formula: C₆H₁₃NO₂ Peso molecolare: 131.17 Beilstein Registry Number: 1721794 Numero EC: 216-143-9

QUALITÀ & PUREZZA ≥98%

Synonyms

1(2H)-Naphthalenone, 3,4-dihydro-2-(phenylmethylene)-, (E)-|(-)-D-allo-isoleucine|Allo-D-isoleucine|4'-Methyl-3-phenylacrylophenone|D-allo-Ile|Alloisoleucine, D-|(2R,3S)-2-amino-3-methylpentanoic acid|(2R,3S)-2-azaniumyl-3-methylpentanoate|H-D-Allo-Ile-OH|D-Alloisoleucine|D-allo-isoleucine|DL-Alloisoleucine|DL-Allo-isoleucine

Storage

Room temperature

Shipped In

Normal

Panoramica

Application:

D-allo-Isoleucine is used in the synthesis of a conjugate of epi-jasmonic acid and various antimicrobial peptides.

Specifiche

Sinonimi

1(2H)-Naphthalenone, 3,4-dihydro-2-(phenylmethylene)-, (E)- | (-)-D-allo-isoleucine | Allo-D-isoleucine | 4'-Methyl-3-phenylacrylophenone | D-allo-Ile | Alloisoleucine, D- | (2R,3S)-2-amino-3-methylpentanoic acid | (2R,3S)-2-azaniumyl-3-methylpentanoate | H-D-Allo-Ile-OH | D-Alloisoleucine | D-allo-isoleucine | DL-Alloisoleucine | DL-Allo Mostra altro

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488186815

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186815

Sorrisi canonici

CCC(C)C(C(=O)O)N

IUPAC Name

(2R,3S)-2-amino-3-methylpentanoic acid

InChIKey

AGPKZVBTJJNPAG-CRCLSJGQSA-N

INCHI

1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1

Isomeri SMILES

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

WGK Germania

3

RTECS

BA2930000

Peso molecolare

131.17

Beilstein

1721794

Reaxy-Rn

1721790

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721790&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 Isoleucine and derivatives

• 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: Isoleucine and derivatives
• Alternative Parents: D-alpha-amino acids Methyl-branched fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isoleucine or derivatives - Alpha-amino acid - D-alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acid - Fatty acyl - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: D-alpha-amino acid - alloisoleucine

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Rotazione specifica [α]: -37 ° (C=4, 6mol/L HCl)
• Punto di fusione (°C): 291°C
• Peso molecolare: 131.170 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 131.095 Da
• Monoisotopic Mass: 131.095 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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