Indole-3-lactic Acid - ≥98%(HPLC) , CAS No.1821-52-9

CAS: 1821-52-9 Cat. No.: I157602 Formula: C₁₁H₁₁NO₃ Peso molecolare: 205.21 Beilstein Registry Number: 22(1)553 Numero EC: 217-347-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

Indolelactate | 2-Hydroxy-3-(1H-indol-3-yl)propanoic acid | 3-Indolelactic acid | dl-Indole-3-lactic acid | 3-(Indol-3-yl)lactic acid | alpha-Hydroxy-1H-indole-3-propanoic acid | Indolelactic acid | beta.-Indolyllactic acid

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

application：

DL-Indole-3-lactic Acid is used as a reagent in the synthesis of 2-hydroxy-1-(1H-indol-3-yl)-4-methylpentan-3-one which has weak antibacterial activity against 16 bacterial strains, including Escherichia coli, Bacillus subtilis and Staphylococcus aureus. DL-Indole-3-lactic Acid is also used in the preparation of Monatin, a natural sweet peptidomimetic.

Specifications

Sinonimi

Indolelactate | 2-Hydroxy-3-(1H-indol-3-yl)propanoic acid | 3-Indolelactic acid | dl-Indole-3-lactic acid | 3-(Indol-3-yl)lactic acid | alpha-Hydroxy-1H-indole-3-propanoic acid | Indolelactic acid | beta.-Indolyllactic acid

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 508812937
• Sorrisi canonici: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O
• IUPAC Name: 2-hydroxy-3-(1H-indol-3-yl)propanoic acid
• InChIKey: XGILAAMKEQUXLS-UHFFFAOYSA-N
• INCHI: 1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
• Isomeri SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O
• CAS alternativo: 832-97-3
• Peso molecolare: 205.21
• Beilstein: 22(1)553
• Reaxy-Rn: 86202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=86202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolyl carboxylic acids and derivatives
• Alternative Parents: 3-alkylindoles Substituted pyrroles Benzenoids Alpha hydroxy acids and derivatives Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolyl carboxylic acid derivative - 3-alkylindole - Indole - Alpha-hydroxy acid - Hydroxy acid - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
• External Descriptors: hydroxy monocarboxylic acid - indol-3-yl carboxylic acid

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO (Slightly), Methanol (Slightly)
• Punto di fusione (°C): 145.0 to 149.0 °C
• Peso molecolare: 205.210 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 205.074 Da
• Monoisotopic Mass: 205.074 Da
• Topological Polar Surface Area: 73.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 244.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1