1-Deoxy-1-[(2,5-Diamino-6-Oxo-3,6-Dihydro-4-Pyrimidinyl)Amino]-D-Ribitol

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Properties Simple | Detailed

Formula C9H18N5O5+
IUPAC Name 2,5-diamino-6-[[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]amino]pyrimidin-1-ium-3-id-4-one
Molecular Mass 276.270 g·mol−1
Heat of Formation -778.2 ± 16.7 kJ·mol−1
Dipole Moment 9.56 ± 1.08 D
Volume 308.88 Å 3
Surface Area 287.3 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-diamino-6-[[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]amino]-1h-pyrimidin-4-one
  • 4-ribitylamino-2,5-diamino-6-hydroxypyrimidine
  • d-ribitol, 1-deoxy-1-((2,5-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)amino)-
  • radhp
CAS Number(s)
  • 123283-86-3
  • 27248-39-1
  • 27248-62-0
InChIKey FCJPQLSIAKACJT-RPDRRWSUSA-N
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