10-[(2S,3S,4R)-5-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-Amino-7H-Purin-9-Ium-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}-2,3,4-Trihydroxypentyl]-7,8-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydrobenzo[G]Pteridin-10-Ium

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Properties Simple | Detailed

Formula C27H35N9O15P2++
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-7h-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-1h-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate
Molecular Mass 787.566 g·mol−1
Heat of Formation 907.3 ± 16.7 kJ·mol−1
Dipole Moment 19.70 ± 1.08 D
Volume 750.55 Å 3
Surface Area 625.94 Å 2
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-7h-purin-9-ium-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-1h-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-7h-purin-9-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-1h-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-7h-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4s)-5-(2,4-diketo-7,8-dimethyl-1h-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-7h-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-1h-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • fae
InChIKey IMGVNJNCCGXBHD-UYBVJOGSSA-P
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