[Adenosinato 5'-(Trihydrogen Diphosphate)](Dihydroxy)Oxovanadium

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Formula C10H12N5O13P2V
IUPAC Name [[4-[(3'r)-5'-[(cyanoamino)methyl]-5'-oxido-3'-oxo-spiro[1,2-dioxa-3λ5-phosphacyclopropane-3,1'-2,4,6,7,8-pentaoxa-1λ5,3λ5-diphospha-5λ5-vanadabicyclo[3.2.1]octane]-3'-yl]oxy-3-hydroperoxy-4-oxo-but-1-ynyl]-(methylidyneammoniomethyl)amino]methyl-methylidyne-ammonium
Molecular Mass 523.117 g·mol−1
Heat of Formation -1266.8 ± 16.7 kJ·mol−1
Dipole Moment 1.24 ± 1.08 D
Volume 416.99 Å 3
Surface Area 334.45 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -2.17 ± eV
Point Group Symmetry C1
InChIKey XLVFTLJPBLXCED-UHFFFAOYSA-K
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