2′-Deoxymugineic Acid - ≥95% , CAS No.74235-24-8

CAS: 74235-24-8 Cat. No.: D332810 Molecular Weight: 304.3 EC Number: 876-097-6

GRADE & PURITY ≥95%

Synonyms

CHEBI:19274 | (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]propyl]azetidine-2-carboxylic acid | 2 inverted exclamation mark -Deoxymugineic Acid | DTXSID50995715 | 2 inverted exclamation marka-Deoxymugineic Acid | AKOS030242921 | 1-Azeti

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

application：

Phytosiderophores are produced in higher plants as iron chelating amino acids that promote uptake of iron from soil.

Specifications

Synonyms

CHEBI:19274 | (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]propyl]azetidine-2-carboxylic acid | 2 inverted exclamation mark -Deoxymugineic Acid | DTXSID50995715 | 2 inverted exclamation marka-Deoxymugineic Acid | AKOS030242921 | 1-Azeti

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)O
• IUPAC Name: (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]propyl]azetidine-2-carboxylic acid
• InChIKey: CUZKLRTTYZOCSD-CIUDSAMLSA-N
• INCHI: 1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1
• Isomeric SMILES: C1CN([C@@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O
• Molecular Weight: 304.3
• Reaxy-Rn: 8861307
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8861307&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Gamma amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: L-alpha-amino acids Tricarboxylic acids and derivatives Hydroxy fatty acids Amino fatty acids Azetidinecarboxylic acids Alpha hydroxy acids and derivatives Monosaccharides 1,3-aminoalcohols Trialkylamines Secondary alcohols Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma amino acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Tricarboxylic acid or derivatives - Amino fatty acid - Azetidinecarboxylic acid - Hydroxy fatty acid - Alpha-hydroxy acid - Hydroxy acid - Monosaccharide - Fatty acyl - 1,3-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Secondary alcohol - Azetidine - Amino acid - Organoheterocyclic compound - Azacycle - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Carbonyl group - Organonitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
• External Descriptors: tricarboxylic 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

Chemical and Physical Properties

• Melt Point(°C): >165°C
• Molecular Weight: 304.300 g/mol
• XLogP3: -5.700
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 304.127 Da
• Monoisotopic Mass: 304.127 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 401.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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