Queuine

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Properties Simple | Detailed

Formula C12H15N5O3
IUPAC Name 2-amino-5-[[[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-1h-pyrrolo[2,3-d]pyrimidin-3-ium-4-one
Molecular Mass 277.279 g·mol−1
Heat of Formation -207.2 ± 16.7 kJ·mol−1
Dipole Moment 8.00 ± 1.08 D
Volume 309.29 Å 3
Surface Area 289.45 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-5-[[[(1s,4s,5r)-4,5-dihydroxy-1-cyclopent-2-enyl]amino]methyl]-1,7-dihydropyrrolo[3,2-e]pyrimidin-4-one
  • 2-amino-5-{[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-ylamino]methyl}-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
  • 4h-pyrrolo(2,3-d)pyrimidin-4-one, 2-amino-5-(((4,5-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-1,7-dihydro-, (1s-(1alpha,4beta,5beta))-
  • 7-(3,4-trans-4,5-cis-dihydroxy-1-cyclopenten-3-ylaminomethyl)-7-deazaguanine
  • q base
CAS Number(s)
  • 72496-59-4
InChIKey WYROLENTHWJFLR-ACLDMZEESA-N
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