Aminolevulinic acid phosphate - ≥97% , CAS No.868074-65-1

CAS: 868074-65-1 Cat. No.: A1288600 Molecular Weight: 229.13 PubChem CID: 24737828

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(CC(=O)O)C(=O)CN.OP(=O)(O)O
• IUPAC Name: 5-amino-4-oxopentanoic acid;phosphoric acid
• InChIKey: XWNWBYZHOAIHTK-UHFFFAOYSA-N
• INCHI: 1S/C5H9NO3.H3O4P/c6-3-4(7)1-2-5(8)9;1-5(2,3)4/h1-3,6H2,(H,8,9);(H3,1,2,3,4)
• Isomeric SMILES: C(CC(=O)O)C(=O)CN.OP(=O)(O)O
• PubChem CID: 24737828
• Molecular Weight: 229.13

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 Delta 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: Delta amino acids and derivatives
• Alternative Parents: Gamma-keto acids and derivatives Short-chain keto acids and derivatives Organic phosphoric acids and derivatives Alpha-amino ketones Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Delta amino acid or derivatives - Gamma-keto acid - Short-chain keto acid - Keto acid - Organic phosphoric acid derivative - Alpha-aminoketone - Amino acid - Ketone - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
• 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

Chemical and Physical Properties

• Molecular Weight: 229.130 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 229.035 Da
• Monoisotopic Mass: 229.035 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 171.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3