(2R,3R,3As,9Ar)-3-Hydroxy-2-(Hydroxymethyl)-7-Methyl-2,3,3A,9A-Tetrahydro-6H-Furo[2',3':4,5][1,3]Oxazolo[3,2-A]Pyrimidin-6-One

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Properties Simple | Detailed

Formula C10H13N2O5+
IUPAC Name (2r,3r,3as,9ar)-3-hydroxy-2-(hydroxymethyl)-7-methyl-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-9-ium-7-id-6-one
Molecular Mass 241.221 g·mol−1
Heat of Formation -705.9 ± 16.7 kJ·mol−1
Dipole Moment 6.60 ± 1.08 D
Volume 259.95 Å 3
Surface Area 233.42 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2'-anhydro-1-beta-arabinofuranosylthymine
  • 2,2'-anhydro-11-beta-d-arabinofuranosylthymine
  • 2,2'-anhydro-athy
  • 6h-furo(2',3':4,5)oxazolo(3,2-a)pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2r-(2alpha,3beta,3abeta,9abeta))-
  • 6h-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2r,3r,3as,9ar)-
CAS Number(s)
  • 22423-26-3
InChIKey WLLOAUCNUMYOQI-JAGXHNFQSA-N
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