[[(2R,3S,4S)-5-[(4As,10R,10As)-4A-[(1S)-3-Imino-1,4-Diphenyl-Butyl]-7,8-Dimethyl-2,4-Dioxo-5,10A-Dihydro-1H-Benzo[G]Pteridin-10-Yl]-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C43H52N10O15P2
IUPAC Name [[(2r,3s,4s)-5-[(4as,10r,10as)-4a-[(1s)-3-imino-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-dioxo-5,10a-dihydro-1h-benzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 1010.879 g·mol−1
Heat of Formation -2724.2 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 1099.29 Å 3
Surface Area 858.12 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
InChIKey SHVLKKFFQYIZDY-BEOGYRSYSA-O
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