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Home > Encyclopedia > 5-(Methylthio)-1-(phosphonooxy)-2,3-pentanedione

5-(Methylthio)-1-(phosphonooxy)-2,3-pentanedione

5-(Methylthio)-1-(phosphonooxy)-2,3-pentanedione structure

5-(Methylthio)-1-(phosphonooxy)-2,3-pentanedione 

structure
  • CAS No:

    115974-73-7

  • Formula:

    C6H11O6PS

  • Chemical Name:

    5-(Methylthio)-1-(phosphonooxy)-2,3-pentanedione

  • Synonyms:

    2,3-Pentanedione,5-(methylthio)-1-(phosphonooxy)-;5-(Methylthio)-1-(phosphonooxy)-2,3-pentanedione

Description

Solid


5-(methylsulfanyl)-2,3-dioxopentyl phosphate is an oxoalkyl phosphate, an aliphatic sulfide and an alpha-diketone. It is a conjugate acid of a 5-(methylsulfanyl)-2,3-dioxopentyl phosphate(2-). It is a tautomer of a 2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate.

5-(Methylthio)-1-(phosphonooxy)-2,3-pentanedione Basic Attributes

242.19 g/mol

242.19

DTXSID00151248

Characteristics

126 Ų

Drug Information

1-PDMSP

Computed Properties

Molecular Weight:242.19
XLogP3:-1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:242.00139624
Monoisotopic Mass:242.00139624
Topological Polar Surface Area:126
Heavy Atom Count:14
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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