2-Amino-8-(β-D-Ribofuranosyl)-4,7(1H,8H)-Pteridinedione

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Properties Simple | Detailed

Formula C11H14N5O6++
IUPAC Name 2-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pteridin-1-ium-3-ide-4,7-dione
Molecular Mass 312.259 g·mol−1
Heat of Formation -762.3 ± 16.7 kJ·mol−1
Dipole Moment 7.56 ± 1.08 D
Volume 317.85 Å 3
Surface Area 278.32 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1h-pteridine-4,7-dione
  • 2-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1h-pteridine-4,7-dione
  • 2-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-pteridine-4,7-dione
  • 2-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1h-pteridine-4,7-quinone
  • 7(8h)-pteridinone, 2-amino-4-hydroxy-8-beta-d-ribofuranosyl-
  • isoxanthopterin-n-8-beta-d-ribofuranoside
  • n-8-beta-d-ribofuranosylisoxanthopterin
CAS Number(s)
  • 35868-23-6
InChIKey DGEVNEKRCVPDCG-KAFVXXCXSA-N
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