1-Deoxy-1-(7,8-Dimethyl-1,3-Dioxo-2,3-Dihydropyrido[3,4-B]Quinoxalin-5(1H)-Yl)-5-O-Phosphono-D-Ribitol

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Properties Simple | Detailed

Formula C18H23N3O9P
IUPAC Name [(2r,3s,4s)-5-(7,8-dimethyl-1,3-dioxo-pyrido[4,3-b]quinoxalin-10-ium-5a-id-5-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 456.364 g·mol−1
Heat of Formation -1756.2 ± 16.7 kJ·mol−1
Dipole Moment 12.36 ± 1.08 D
Volume 488.14 Å 3
Surface Area 420.47 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1-deaza-1-carba-fmn
  • 1-deaza-fmn
  • [(2r,3s,4s)-5-(1,3-diketo-7,8-dimethyl-pyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(7,8-dimethyl-1,3-dioxo-5-pyrido[4,3-b]quinoxalinyl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(7,8-dimethyl-1,3-dioxo-pyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(7,8-dimethyl-1,3-dioxopyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
  • d-ribitol, 1-deoxy-1-(2,3-dihydro-7,8-dimethyl-1,3-dioxopyrido(3,4-b)quinoxalin-5(1h)-yl)-, 5-(dihydrogen phosphate)
CAS Number(s)
  • 70805-82-2
InChIKey MKGMHXIELMAMOW-VBQJREDUSA-N
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