1-[4-(3-Amino-6,7-Dimethyl-1-Oxo-1,2,5,6,6A,7-Hexahydroimidazo[1,5-F]Pteridin-8(9H)-Yl)Phenyl]-1-Deoxy-5-O-{5-O-[(1,3-Dicarboxylatopropoxy)Phosphinato]-α-D-Ribofuranosyl}Pentitol

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Formula C31H46N6O16P
IUPAC Name (2s)-2-[[(2r,3s,4s,5s)-5-[(2r,3r,4r)-5-[4-[(6r,6ar,7s,8s,10r)-3-amino-6,7-dimethyl-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-4-ium-10a-id-8-yl]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid
Molecular Mass 789.701 g·mol−1
Heat of Formation -3226.1 ± 16.7 kJ·mol−1
Dipole Moment 9.79 ± 1.08 D
Volume 848.89 Å 3
Surface Area 566.49 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
InChIKey GBMIGEWJAPFSQI-QHFPFIAOSA-O
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