[(Z)-[(3S)-3-[(1S,5R)-1-But-2-Ynoyl-9-Ethynyl-7-Methylene-4,10-Dioxo-3-(Oxomethylene)-2,6,8-Trioxaspiro[4.5]Decan-1-Yl]-5-Cyano-2,4-Dihydroimidazol-4-Yl]Azo]Oxy-Oxido-Oxo-Phosphonium

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Properties Simple | Detailed

Formula C22H32N5O10P
IUPAC Name [(2s,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-2,3-di(butanoyl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] butanoate
Molecular Mass 557.491 g·mol−1
Heat of Formation -1987.7 ± 16.7 kJ·mol−1
Dipole Moment 7.75 ± 1.08 D
Volume 612.85 Å 3
Surface Area 463.87 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey MIMVXGBHRVPWST-YWWHGZKBSA-N
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