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

CAS: 1509-35-9 Cat. No.: I113995 Summenformel: C₆H₁₃NO₂ Molekulargewicht: 131.17 Beilstein Registry Number: 1721794 EG-Nummer: 216-143-9

QUALITÄT & REINHEIT ≥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

Übersicht

Application:

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

Spezifikationen

Synonyme

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 Show more

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488186815

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

RTECS

BA2930000

Molekulargewicht

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
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Isoleucine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Spezifische Drehung [α]: -37 ° (C=4, 6mol/L HCl)
• Schmelzpunkt (°C): 291°C
• Molekulargewicht: 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