1-Deoxy-1-{[2,6-Dioxo-5-(5-Phosphonopentyl)-1,2,3,6-Tetrahydro-4-Pyrimidinyl]Amino}-D-Ribitol

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Properties Simple | Detailed

Formula C14H26N3O9P
IUPAC Name 5-[2,4-dioxo-6-[[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]amino]-1h-pyrimidin-5-yl]pentylphosphonic acid
Molecular Mass 411.345 g·mol−1
Heat of Formation -2004.1 ± 16.7 kJ·mol−1
Dipole Moment 12.10 ± 1.08 D
Volume 462.2 Å 3
Surface Area 413.53 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(6-d-ribitylamino-2,4(1h,3h)pyrimidinedione-5-yl) pentyl-1-phosphonic acid
  • 5-(6-d-ribitylamino-2,4-dihydroxypyrimidin-5-yl)-1-pentyl-phosphonic acid
  • 5-[2,4-diketo-6-[[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]amino]-1h-pyrimidin-5-yl]pentylphosphonic acid
  • 5yl
  • inj
InChIKey BMATWAHJJFXMFA-AXFHLTTASA-N
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