(2E)-3-(6-Methyl-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)-N-[(2S)-1-{(R)-[(Methylsulfanyl)Methyl]Sulfinyl}-2-Propanyl]Acrylamide

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Properties Simple | Detailed

Formula C13H19N3O4S2++
IUPAC Name (e)-3-(4-methyl-2,6-dioxo-pyrimidin-5-yl)-n-[(1s)-1-methyl-2-[(r)-methylsulfanylmethylsulfinyl]ethyl]prop-2-enamide
Molecular Mass 345.438 g·mol−1
Heat of Formation -597.7 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 402.5 Å 3
Surface Area 367.46 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(2,4-diketo-6-methyl-1h-pyrimidin-5-yl)-n-[(1s)-1-methyl-2-[(r)-(methylthio)methylsulfinyl]ethyl]acrylamide
  • (e)-3-(4-methyl-2,6-dioxo-3h-pyrimidin-5-yl)-n-[(1s)-1-methyl-2-[(r)-(methylthio)methylsulfinyl]ethyl]prop-2-enamide
  • (e)-3-(4-methyl-2,6-dioxo-3h-pyrimidin-5-yl)-n-[(1s)-1-methyl-2-[(r)-methylsulfanylmethylsulfinyl]ethyl]prop-2-enamide
  • 2-propenamide, n-(1-methyl-2-(((methylthio)methyl)sulfinyl)ethyl)-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (r-(r*,s*-(e)))-
  • dehydroxysparsomycin
  • deshydroxysparsomycin
CAS Number(s)
  • 113597-70-9
InChIKey SOVWAAKGEFZZPG-VQKLGCARSA-N
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