(2R,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydro-2-Furanyl [(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C12H6N2O16P2
IUPAC Name [(3s)-6,7-dioxo-5-(oxomethylene)-4-oxa-1-azaspiro[2.4]heptane-1-carbonyl]-oxo-ammonium; [3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-yl] phospho phosphate
Molecular Mass 496.127 g·mol−1
Heat of Formation -3496.3 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 522.87 Å 3
Surface Area 403.76 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
InChIKey QGNZSCRNMXQWNR-IAZOVDBXSA-N
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