5'-O-Thiophosphonocytidine

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Properties Simple | Detailed

Formula C9H15N3O7PS
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-dihydroxy-sulfido-phosphonium
Molecular Mass 340.270 g·mol−1
Heat of Formation -1463.8 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 342.72 Å 3
Surface Area 295.07 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey JOENGNVCVILJEG-XVFCMESISA-O
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