1-Deoxy-1-(6,7-Dimethyl-2,4-Dioxo-3,4-Dihydro-8(2H)-Pteridinyl)-D-Ribitol

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Properties Simple | Detailed

Formula C13H19N4O6
IUPAC Name 6,7-dimethyl-8-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]pteridine-1,5-diium-7-ide-2,4-dione
Molecular Mass 327.313 g·mol−1
Heat of Formation -965.1 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 358.02 Å 3
Surface Area 314.53 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1-deoxy-1-[6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl]-d-ribitol
  • 6,7-dimethyl-8-(1'-d-ribityl)lumazine
  • 6,7-dimethyl-8-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4-dione
  • 6,7-dimethyl-8-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4-quinone
  • 6,7-dimethyl-8-ribityllumazine
  • dmdrl
  • ribitol, 1-deoxy-1-(3,4-dihydro-6,7-dimethyl-2,4-dioxo-8(2h)-pteridinyl)-
CAS Number(s)
  • 5118-16-1
InChIKey SXDXRJZUAJBNFL-XKSSXDPKSA-N
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