3'-Deoxy-3'-Isocyanothymidine

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Formula C11H14N3O4
IUPAC Name 1-[(2r,4s,5s)-5-(hydroxymethyl)-4-isocyano-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 252.247 g·mol−1
Heat of Formation -515.7 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 291.92 Å 3
Surface Area 265.87 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
InChIKey NQXZOJJOKDQOHV-HLTSFMKQSA-N
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