1-[(1S,3S,4R,5S)-3-Hydroxy-4-(Hydroxymethyl)Bicyclo[3.1.0]Hex-1-Yl]-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C12H16N2O4
IUPAC Name 1-[(1s,2r,3s,5s)-3-hydroxy-2-(hydroxymethyl)-5-bicyclo[3.1.0]hexanyl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 252.266 g·mol−1
Heat of Formation -636.0 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 296.77 Å 3
Surface Area 261.49 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
InChIKey XRMLXZVSFIBRRJ-PEFMBERDSA-P
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