1-Deoxy-1-(7,8-Dimethyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)-5-O-Phosphono-D-Arabinitol

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Properties Simple | Detailed

Formula C17H22N4O9P
IUPAC Name [(2r,3s,4r)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 457.352 g·mol−1
Heat of Formation -1707.5 ± 16.7 kJ·mol−1
Dipole Moment 10.50 ± 1.08 D
Volume 477.13 Å 3
Surface Area 418.93 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r)-5-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4r)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
  • [(2r,3s,4r)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4r)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
InChIKey FVTCRASFADXXNN-BZPMIXESSA-N
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