5-(Methylsulfanyl)-2,3-Dioxopentyldihydrogen-Phosphat

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Properties Simple | Detailed

Formula C6H11O6PS
IUPAC Name (5-methylsulfanyl-2,3-dioxo-pentyl) dihydrogen phosphate
Molecular Mass 242.187 g·mol−1
Heat of Formation -1347.2 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 254.38 Å 3
Surface Area 244.25 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (5-methylsulfanyl-2,3-dioxopentyl) dihydrogen phosphate
  • 1-pdmsp
  • 1-phospho-2,3-diketo-5-methylthiopentane
  • 1-phospho-2,3-diketo-5-s-methylthiopentane
  • 1-phosphoryloxy-2,3-diketo-5-methylthiopentane
  • 2,3-diketo-5-methylthio-1-phosphopentane
  • 2,3-diketo-5-methylthiopentyl-1-phosphate
  • 5-(methylthio)-2,3-dioxopentyl phosphate
  • [2,3-diketo-5-(methylthio)pentyl] dihydrogen phosphate
  • [5-(methylthio)-2,3-dioxopentyl] dihydrogen phosphate
  • cpd-84
  • decanoic acid, 1-heptyl-2-((1-oxodecyl)amino)-1,3-propanediyl ester, (r*,r*)-
  • dkm-1-p
CAS Number(s)
  • 115974-73-7
InChIKey HKEAOVFNWRDVAJ-UHFFFAOYSA-N
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