[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4S)-5-[(4As)-7,8-Dimethyl-2,4-Dioxo-3,4,4A,5-Tetrahydrobenzo[G]Pteridin-10(2H)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C27H31N9O15P2++
IUPAC Name (6-aminopurine-1,3,7-triium-9-yl)methanol; hydron; [hydroxy-[5-(4-hydroxy-7,8-dimethyl-2-oxo-3h-benzo[g]pteridine-1,5,10-triium-10-yl)-3-oxo-penta-1,4-diynoxy]phosphoryl] prop-2-ynyl phosphate; methanediol; dihydrate
Molecular Mass 794.621 g·mol−1
Heat of Formation -2584.5 ± 16.7 kJ·mol−1
Dipole Moment 23.35 ± 1.08 D
Volume 905.95 Å 3
Surface Area 785.41 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
InChIKey SDBHOOIZTSVSKT-LDVRFEIFSA-N
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