[(2R,3S,4S)-5-[3-(2-Blahethoxy)-7,8-Dimethyl-2,4-Dioxo-Benzo[G]Pteridine-1,5-Diium-9A-Id-10-Yl]-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate

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Formula C42H55N9O21PS4
IUPAC Name [(2r,3s,4s)-5-[3-(2-blahethoxy)-7,8-dimethyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 1181.168 g·mol−1
Heat of Formation -2997.7 ± 16.7 kJ·mol−1
Dipole Moment 9.44 ± 1.08 D
Volume 1224.69 Å 3
Surface Area 1006.88 Å 2
HOMO Energy -7.92 ± 0.55 eV
LUMO Energy -2.04 ± eV
Point Group Symmetry C1
InChIKey WSAPRTRYJHBQBK-MTSKFENVSA-P
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