Fosfomycin phenylethylamine - ≥98% , CAS No.25383-07-7

CAS: 25383-07-7 Cat. No.: F345752 Summenformel: C₁₁H₁₈NO₄P Molekulargewicht: 259.24 EG-Nummer: 418-570-8 PubChem CID: 57416889

GRADE & PURITY ≥98%

Synonyms

AS-15719 | Fosfomycin (R)-1-phenethylamine salt | E78444 | J-015973 | (R)-1-phenylethan-1-amine ((2R,3S)-3-methyloxiran-2-yl)phosphonate | DTXSID80726231 | Phosphonomycin (R)-1-phenethylamine salt

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Fosfomycin phenylethylamine is the salt form of Fosfomycin, a phosphoenolpyruvate analogue that irreversibly inhibits enolpyruvate transferase (MurA), which prevents the formation of N-acetylmuramic acid, an essential element of the peptidoglycan cell wall.

Specifications

Synonyme

AS-15719 | Fosfomycin (R)-1-phenethylamine salt | E78444 | J-015973 | (R)-1-phenylethan-1-amine ((2R,3S)-3-methyloxiran-2-yl)phosphonate | DTXSID80726231 | Phosphonomycin (R)-1-phenethylamine salt

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504771599
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771599
• Kanonisches Lächeln: CC1C(O1)P(=O)(O)O.CC(C1=CC=CC=C1)N
• IUPAC Name: [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid;(1R)-1-phenylethanamine
• InChIKey: ODALAXKSIBESFV-PXRNWTNJSA-N
• INCHI: 1S/C8H11N.C3H7O4P/c1-7(9)8-5-3-2-4-6-8;1-2-3(7-2)8(4,5)6/h2-7H,9H2,1H3;2-3H,1H3,(H2,4,5,6)/t7-;2-,3+/m10/s1
• Isomere SMILES: C[C@H]1[C@H](O1)P(=O)(O)O.C[C@H](C1=CC=CC=C1)N
• PubChem CID: 57416889
• Molekulargewicht: 259.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives Organic phosphonic acids Oxacyclic compounds Epoxides Organophosphorus compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Aralkylamine - Monocyclic benzene moiety - Benzenoid - Organophosphonic acid - Organophosphonic acid derivative - Oxirane - Oxacycle - Organoheterocyclic compound - Organophosphorus compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Primary amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 142-147° C
• Molekulargewicht: 259.240 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 259.097 Da
• Monoisotopic Mass: 259.097 Da
• Topological Polar Surface Area: 96.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 213.000
• 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: 2

XLogP3