[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4S)-2,3,4-Trihydroxy-5-(6-Hydroxy-7,8-Dimethyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)Pentyl Dihydrogen Diphosphate

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Formula C27H34N9O16P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-2,3,4-trihydroxy-5-(6-hydroxy-7,8-dimethyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-8-id-10-yl)pentyl] hydrogen phosphate
Molecular Mass 802.557 g·mol−1
Heat of Formation -2999.5 ± 16.7 kJ·mol−1
Dipole Moment 9.19 ± 1.08 D
Volume 813.19 Å 3
Surface Area 675.95 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
InChIKey BJSUUWFQAMLNKU-OKXKTURISA-N
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