4-Amino-1-{6-[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]-6-Deoxy-5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-β-D-Allofuranosyl}-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C18H9N6O15P2
IUPAC Name [(1z)-6-[(3-isocyanato-1-azoniacyclopropa-1,3-dien-2-yl)methylamino]-1-[5-[2-(isocyanatomethylamino)ethynylamino]-3,4-dioxo-tetrahydrofuran-2-ylidene]-4,5,6-trioxo-hex-2-ynyl] (3-oxo-1,2,3λ5-dioxaphosphiran-3-yl) phosphate
Molecular Mass 611.243 g·mol−1
Heat of Formation -862.4 ± 16.7 kJ·mol−1
Dipole Moment 26.12 ± 1.08 D
Volume 546.43 Å 3
Surface Area 458.4 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -3.62 ± eV
Point Group Symmetry C1
InChIKey OZORAFDTIRRQFA-LUZZQSLSSA-N
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