3-Deazaneplanocin A

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Properties Simple | Detailed

Formula C12H14N4O3
IUPAC Name (1s,2r,5r)-5-(4-aminoimidazo[4,5-c]pyridin-1-ium-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Molecular Mass 262.265 g·mol−1
Heat of Formation -253.6 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 293.41 Å 3
Surface Area 266.67 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-1-[(1r,4r,5s)-3-(hydroxymethyl)-4,5-dihydroxy-2-cyclopenten-1-yl]4-aminoimidazo[4,5-c]pyridine
  • (1s,2r,5r)-5-(4-amino-1-imidazo[4,5-c]pyridinyl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
  • (1s,2r,5r)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
  • (1s,2r,5r)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-methylol-cyclopent-3-ene-1,2-diol
  • 3-cyclopentene-1,2-diol, 5-(4-amino-1h-imidazo(4,5-c)pyridiny-1-yl)-3-(hydroxymethyl)-, (1s-(alpha,2alpha,5beta))-
  • 3-deaza-neplanocin
  • 3-deazaneplanocin
  • 3-deazaneplanocin-a
  • avs-4275
  • c^neplanocin a
  • dznep
CAS Number(s)
  • 102052-95-9
InChIKey OMKHWTRUYNAGFG-IEBDPFPHSA-N
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