[(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-[(4As,10As)-4A-[(1S)-3-Imino-1-Phenylpentyl]-7,8-Dimethyl-2,4-Dioxo-1,3,4,4A,5,10A-Hexah Ydrobenzo[G]Pteridin-10(2H)-Yl]Pentyl Dihydrogen Diphosphate (Non-Preferred Name)

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Formula C38H50N10O15P2
IUPAC Name [[(2r,3s,4s)-5-[(4as,10r,10as)-4a-[(1s)-3-imino-1-phenyl-pentyl]-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-amino-8h-purin-9-ium-8-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 948.809 g·mol−1
Heat of Formation -2888.4 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 1021.64 Å 3
Surface Area 786.9 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -1.78 ± eV
Point Group Symmetry C1
InChIKey MOIGHOAOYPRHPC-DYEICOIISA-N
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