Thiarabine

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Formula C9H13N3O4S
IUPAC Name 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one
Molecular Mass 259.282 g·mol−1
Heat of Formation -624.5 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 279.04 Å 3
Surface Area 247.13 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyrimidinone, 4-amino-1-(4-thio-beta-d-arabinofuranosyl)-
  • 4-amino-1-(4-thio-beta-d-arabinofuranosyl)-2(1h)-pyrimidinone
  • 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrothiophenyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrothiophen-2-yl]pyrimidin-2-one
CAS Number(s)
  • 26599-17-7
InChIKey GAKJJSAXUFZQTL-CCXZUQQUSA-N
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