1-[6-(2-Carboxyethyl)-2,4,7-Trioxo-1,3,4,7-Tetrahydro-8(2H)-Pteridinyl]-1-Deoxy-D-Ribitol

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Formula C14H18N4O9
IUPAC Name 3-[2,4,7-trioxo-8-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]pteridin-6-yl]propanoic acid
Molecular Mass 386.314 g·mol−1
Heat of Formation -1605.0 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 403.25 Å 3
Surface Area 360.77 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(7-hydroxy-8-ribityllumazine-6-yl) propionic acid
  • 3-[2,4,7-triketo-8-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1h-pteridin-6-yl]propionic acid
  • 3-[8-((2s,3s,4r)-2,3,4,5-tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-yl]propanoic acid
  • carboxyethyllumazine
  • crm
  • rlp
CAS Number(s)
  • 29161-67-9
InChIKey PTYCEIBBGGLADD-PJKMHFRUSA-N
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