4-Amino-1-[(2R,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-[(2r,4s)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
Molecular Mass 229.256 g·mol−1
Heat of Formation -362.3 ± 16.7 kJ·mol−1
Dipole Moment 7.55 ± 1.08 D
Volume 247.86 Å 3
Surface Area 231.99 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2r,4s)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-2-pyrimidinone
  • 4-amino-1-[(2r,4s)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,4s)-2-methylol-1,3-oxathiolan-4-yl]pyrimidin-2-one
InChIKey RYMCFYKJDVMSIR-NKWVEPMBSA-N
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