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Formula C27H34N9O15P2
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-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate
Molecular Mass 786.558 g·mol−1
Heat of Formation -2842.3 ± 16.7 kJ·mol−1
Dipole Moment 10.37 ± 1.08 D
Volume 809.07 Å 3
Surface Area 668.8 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4s)-5-(7,8-dimethyl-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-(7,8-dimethyl-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-(2,4-diketo-7,8-dimethyl-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-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate
  • adeflavin
  • adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine (8ci)
  • adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate]
  • adenosine 5'-{3-[d-ribo-5-(7,8-dimethyl-2,4-dioxo-2,3,4,10-tetrahydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen diphosphate}
  • benzo[g]pteridine, riboflavin 5'-(trihydrogen diphosphate) deriv.
  • d00005
  • fademin
  • flamitajin
  • flavin adenine dinucleotide (jan)
  • riboflavine, 5'-ester with adenosine 5'-diphosphate (8ci)
InChIKey VWWQXMAJTJZDQX-UYBVJOGSSA-N
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