[(2R)-2-{[(2E)-3-(2,4-Dihydroxy-6-Methylpyrimidin-5-Yl)Prop-2-Enoyl]Amino}-3-Hydroxypropyl][(Methylsulfanyl)Methyl]Sulfoniumolate

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Properties Simple | Detailed

Formula C13H19N3O5S2
IUPAC Name (e)-n-[(1r)-1-(hydroxymethyl)-2-[(s)-methylsulfanylmethylsulfinyl]ethyl]-3-(6-methyl-2,4-dioxo-1h-pyrimidin-5-yl)prop-2-enamide
Molecular Mass 361.437 g·mol−1
Heat of Formation -759.6 ± 16.7 kJ·mol−1
Dipole Moment 11.61 ± 1.08 D
Volume 410.92 Å 3
Surface Area 376.64 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey XKLZIVIOZDNKEQ-FWCPINHQSA-N
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