6-Hydroperoxy-5-Hydroxy-5-Methyldihydro-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C5H8N2O5
IUPAC Name (5r,6s)-6-hydroperoxy-5-hydroxy-5-methyl-hexahydropyrimidine-2,4-dione
Molecular Mass 176.127 g·mol−1
Heat of Formation -670.2 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 181.71 Å 3
Surface Area 173.82 Å 2
HOMO Energy -10.62 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
InChIKey GQCPWBQRXKVGES-UCORVYFPSA-N
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