[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4S)-5-[8-(Dimethylamino)-7-Methyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C28H36N10O15P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-5-[8-(dimethylamino)-7-methyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl]-2,3,4-trihydroxy-pentyl] hydrogen phosphate
Molecular Mass 814.591 g·mol−1
Heat of Formation -129.6 ± 16.7 kJ·mol−1
Dipole Moment 14.61 ± 1.08 D
Volume 698.56 Å 3
Surface Area 507.99 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -3.73 ± eV
Point Group Symmetry C1
Synonyms
  • 8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4s)-5-(8-dimethylamino-7-methyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3s,4s)-5-(8-dimethylamino-7-methyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4s)-5-(8-dimethylamino-2,4-diketo-7-methyl-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4s)-5-(8-dimethylamino-7-methyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • rfl
InChIKey UXOZEHHQWXVTPI-MZWSMYJRSA-N
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