5-Deoxy-5-(6-Methyl-2,4,7-Trioxo-1,3,4,7-Tetrahydro-8(2H)-Pteridinyl)-D-Ribitol

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Properties Simple | Detailed

Formula C12H16N4O7
IUPAC Name 6-methyl-8-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentyl]-1h-pteridine-2,4,7-trione
Molecular Mass 328.278 g·mol−1
Heat of Formation -1172.7 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 352.17 Å 3
Surface Area 309.33 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 6-methyl-7-hydroxyribolumazine
  • 6-methyl-8-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentyl]-1h-pteridine-2,4,7-trione
  • 7-hydroxy-6-methyl-8-(1-d-ribityl)lumazine
  • d-ribitol, 1-deoxy-1-(3,4-dihydro-7-hydroxy-6-methyl-2,4-dioxo-8(2h)-pteridinyl)-
  • masuda's compound v
CAS Number(s)
  • 2184-54-5
InChIKey QCYVUUAIJUUUPI-GKROBHDKSA-N
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