2'-Deoxy-N-Methoxycytidine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H18N3O8P++
IUPAC Name [1-[(2r,4s,5r)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2-oxo-1h-pyrimidin-1-ium-4-yl]-methoxy-ammonium
Molecular Mass 339.239 g·mol−1
Heat of Formation -1494.9 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 349.78 Å 3
Surface Area 314.0 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey GCOHQLVAXYZLMM-LKEWCRSYSA-P
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