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

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Properties Simple | Detailed

Formula C9H14N4O8
IUPAC Name 5-nitro-6-[[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]amino]-1h-pyrimidine-2,4-dione
Molecular Mass 306.229 g·mol−1
Heat of Formation -1133.7 ± 16.7 kJ·mol−1
Dipole Moment 11.49 ± 1.08 D
Volume 313.71 Å 3
Surface Area 290.63 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 5-nitro-6-[[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]amino]uracil
  • 5-nitro-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione
  • ini
InChIKey KSKGHNZSCSCHEQ-RPDRRWSUSA-N
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