2-B-D-Ribofuranosyl-3-Thioxo-3,4-Dihydro-1,2,4-Triazin-5(2H)-One

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Formula C8H11N3O5S
IUPAC Name 2-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-sulfanylidene-1,2,4-triazin-5-one
Molecular Mass 261.255 g·mol−1
Heat of Formation -665.9 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 272.61 Å 3
Surface Area 241.9 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2,3,4,5-tetrahydro)-3-thioxo-2-(beta-d-ribofuranosyl)-1,2,4-triazin-5-one
  • 2-.beta.-d-ribofuranosyl-3-thio-as-triazine-3,5(2h,4h)-dione
  • 2-thio-6-azauridine
  • as-triazine-3,5(2h,4h)-dione, 2-beta-d-ribofuranosyl-3-thio-
  • triazine dione der.
CAS Number(s)
  • 27089-56-1
InChIKey TVCBDTCUOVDLNZ-SHUUEZRQSA-N
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