Foscarbidopa , CAS No.1907685-81-7

CAS: 1907685-81-7 Cat. No.: F1240091 EC Number: 827-582-6 PubChem CID: 121288738

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Names and Identifiers

• Canonical Smiles: CC(CC1=CC(=C(C=C1)OP(=O)(O)O)O)(C(=O)O)NN
• IUPAC Name: (2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid
• InChIKey: PQUZXFMHVSMUNG-JTQLQIEISA-N
• INCHI: 1S/C10H15N2O7P/c1-10(12-11,9(14)15)5-6-2-3-8(7(13)4-6)19-20(16,17)18/h2-4,12-13H,5,11H2,1H3,(H,14,15)(H2,16,17,18)/t10-/m0/s1
• Isomeric SMILES: C[C@](CC1=CC(=C(C=C1)OP(=O)(O)O)O)(C(=O)O)NN
• Alternate CAS: 1907685-81-7
• PubChem CID: 121288738

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphomonoesters
            • Level7 Phenyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates - Aryl phosphomonoesters
• Direct Parent: Phenyl phosphates
• Alternative Parents: Phenylpropanoic acids Amphetamines and derivatives Alpha amino acids and derivatives Phenylpropanes Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Alkylhydrazines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl phosphate - 3-phenylpropanoic-acid - Amphetamine or derivatives - Alpha-amino acid or derivatives - Phenylpropane - Phenoxy compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Alkylhydrazine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Hydrazine derivative - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
• 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: 306.210 g/mol
• XLogP3: -5.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 306.062 Da
• Monoisotopic Mass: 306.062 Da
• Topological Polar Surface Area: 162.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 401.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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