1-{5-O-[({[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridinyl)Methoxy](Hydroxy)Phosphoryl}Oxy)(Hydroxy)Phosphoryl]-D-Ribofuranosyl}-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C17H21N3O14P2++
IUPAC Name [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl hydrogen phosphate
Molecular Mass 553.308 g·mol−1
Heat of Formation -2877.6 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 562.38 Å 3
Surface Area 399.48 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
InChIKey RPXAOSYFLOINJG-RAEVTNRLSA-N
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