2'-Deoxy-5-Methyl-5'-O-[Oxido(Oxo)Phosphonio]-4'-Thio-5,6-Dihydrocytidine

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Properties Simple | Detailed

Formula C10H16N3O5PS
IUPAC Name [(2r,3s,5r)-5-[(5r)-6-amino-5-methyl-2-oxo-4,5-dihydropyrimidin-3-yl]-3-hydroxy-tetrahydrothiophen-2-yl]methoxy-oxido-oxo-phosphonium
Molecular Mass 321.290 g·mol−1
Heat of Formation 451.9 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 302.5 Å 3
Surface Area 279.06 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
InChIKey KMWLOPTUNJILSZ-ULAWRXDQSA-N
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