(2E)-3-(2,4-Dihydroxy-6-Methylpyrimidin-5-Yl)-N-(1-Hydroxy-3-{[(Methylsulfanyl)Methyl]Sulfinyl}Propan-2-Yl)Prop-2-Enamide

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Properties Simple | Detailed

Formula C13H19N3O5S2
IUPAC Name (2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-{[(methylsulfanyl)methyl]sulfinyl}propan-2-yl)prop-2-enamide
Molecular Mass 361.437 g·mol−1
Heat of Formation -799.3 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 406.73 Å 3
Surface Area 367.78 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey XKLZIVIOZDNKEQ-IXBCGMGTSA-P
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