[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[5-[3-Carbamoyl-4-(2-Ethylpyridine-4-Carbonyl)-4H-Pyridin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C29H21N8O15P2
IUPAC Name [cyano-[(z)-c-[cyano(methylidyneammonio)methyl]-n-(3-hydroperoxyprop-1-ynyl)carbonimidoyl]carbamoyl] [(3-methylidyneammonio-3-oxo-prop-1-ynoxy)-oxo-phosphaniumyl] phosphate; formaldehyde; 2-[4-hydroxy-1-(2-isocyanatoethynoxy)but-3-ynyl]-3-prop-1-ynyl-cycloprop-2-ene-1-carbonitrile
Molecular Mass 783.469 g·mol−1
Heat of Formation 1018.6 ± 16.7 kJ·mol−1
Dipole Moment 11.09 ± 1.08 D
Volume 761.26 Å 3
Surface Area 666.2 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -2.76 ± eV
Point Group Symmetry C1
InChIKey KVEIKWLOSUPDGF-UHFFFAOYSA-N
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