5'-Deoxy-5'-Isocyanothymidine

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Properties Simple | Detailed

Formula C11H14N3O4++
IUPAC Name 1-[(2s,4r,5r)-4-hydroxy-5-(isocyanomethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 252.247 g·mol−1
Heat of Formation -528.2 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 284.57 Å 3
Surface Area 258.22 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
InChIKey GBWQKYUVGHOFTL-YIZRAAEISA-N
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