1-[(1R,3S,4R)-3-Hydroxy-4-(Hydroxymethyl)Cyclopentyl]-5-Iodo-2,4(1H,3H)-Pyrimidinedione

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Formula C10H13IN2O4++
IUPAC Name 1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 352.126 g·mol−1
Heat of Formation -642.0 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 295.32 Å 3
Surface Area 261.22 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-c-idu
  • 1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-pyrimidine-2,4-dione
  • 1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
  • 1-[(1r,3s,4r)-3-hydroxy-4-methylol-cyclopentyl]-5-iodo-pyrimidine-2,4-quinone
  • 2,4(1h,3h)-pyrimidinedione,1-[3-hydroxy-4-(hydroxymethyl)- cyclopentyl]-5-iodo-, (1alpha,3beta,4alpha)-(+ -)-
  • c-idu
CAS Number(s)
  • 83967-03-7
InChIKey NEWOWXPKUVLDTM-JKMUOGBPSA-N
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