4-Amino-1-[(2S,5R)-2-(Hydroxymethyl)-3-Oxido-1,3-Oxathiolan-5-Yl]-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C8H5N3O4S
IUPAC Name 3-[[2-(2-hydroxyethynylsulfinyl)acetyl]amino]prop-2-ynimidoyl isocyanate
Molecular Mass 239.208 g·mol−1
Heat of Formation 548.3 ± 16.7 kJ·mol−1
Dipole Moment 7.59 ± 1.08 D
Volume 243.36 Å 3
Surface Area 257.44 Å 2
Point Group Symmetry C1
Synonyms
  • 1,3-oxathiolane deriv.
  • 1-(2-hydroxymethyl-3-oxo-1,3-oxathiolan-5-yl)-cytosine
  • 160552-54-5 (2r,3r,5s)
  • 160552-55-6 (2r,3s,5s)
  • 2(1h)-pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl]-, (2a,5a)-
  • 4-amino-1-[(2s,5r)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]-2-pyrimidinone
  • 4-amino-1-[(2s,5r)-3-keto-2-methylol-1,3-oxathiolan-5-yl]pyrimidin-2-one
CAS Number(s)
  • 131086-23-2
InChIKey LJMQAXFNQNADRZ-FYZWQCAOSA-N
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