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

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Properties Simple | Detailed

Formula C8H11N3O3S+
IUPAC Name 4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
Molecular Mass 229.256 g·mol−1
Heat of Formation -364.0 ± 16.7 kJ·mol−1
Dipole Moment 7.89 ± 1.08 D
Volume 246.39 Å 3
Surface Area 230.64 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-2'-deoxy-3'-oxa-4'-thiocytidine
  • (+)-dotc
  • 4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-2-pyrimidinone
  • 4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
  • 4-amino-1-[(2s,4s)-2-methylol-1,3-oxathiolan-4-yl]pyrimidin-2-one
  • bch-10619
InChIKey RYMCFYKJDVMSIR-BQBZGAKWSA-N
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