4-Amino-1-[(1R,4R,5S)-4,5-Dihydroxy-3-(Hydroxymethyl)-2-Cyclopenten-1-Yl]-2(1H)-Pyridinone

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Properties Simple | Detailed

Formula C11H14N2O4+
IUPAC Name 4-amino-1-[(1r,4r,5s)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyridin-2-one
Molecular Mass 238.240 g·mol−1
Heat of Formation -595.9 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 268.45 Å 3
Surface Area 248.11 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(1r,4r,5s)-4,5-dihydroxy-3-(hydroxymethyl)-1-cyclopent-2-enyl]-2-pyridinone
  • 4-amino-1-[(1r,4r,5s)-4,5-dihydroxy-3-(hydroxymethyl)-1-cyclopent-2-enyl]pyridin-2-one
  • 4-amino-1-[(1r,4r,5s)-4,5-dihydroxy-3-methylol-1-cyclopent-2-enyl]-2-pyridone
InChIKey YCRKYJVJMABCKH-IEBDPFPHSA-N
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