9-[(2S,5R)-2-(Hydroxymethyl)-1,3-Oxathiolan-5-Yl]-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C9H10N4O3S
IUPAC Name 9-[(2s,5r)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 254.266 g·mol−1
Heat of Formation -203.3 ± 16.7 kJ·mol−1
Dipole Moment 12.75 ± 1.08 D
Volume 267.5 Å 3
Surface Area 238.57 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 1.61 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-(2s,5r)-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]hypoxanthine
  • (-)-(2s,5s)-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)hypoxanthine
  • (-)-(2s,5s)-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]hypoxanthine
  • 1,9-dihydro-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-6h-purin-6-one (2s-cis)-
  • 6h-purin-6-one, 1,9-dihydro-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2s-cis)-
  • 6h-purin-6-one, 1,9-dihydro-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2s-trans)-
  • 6h-purin-6-one, 1,9-dihydro-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2s-cis)-
  • 6h-purin-6-one, 1,9-dihydro-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2s-trans)-
  • 9-((2s,5r)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1,9-dihydro-purin-6-one
  • 9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)hypoxanthine
  • 9-[(2s,5r)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3h-purin-6-one
  • 9-[(2s,5r)-2-methylol-1,3-oxathiolan-5-yl]-3h-purin-6-one
  • 9-hmo-hypoxanthine
  • cis-oxathiolan-hypoxathine
  • oxathiolani-(-)-alpha
  • oxathiolani-(-).a.
  • oxathiolani-(-).b.
CAS Number(s)
  • 149819-64-7
  • 149819-61-4
InChIKey NWAMVXFWUIMGLW-RITPCOANSA-N
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