2'-Deoxy-4'-Thiocytidine

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Properties Simple | Detailed

Formula C9H13N3O3S+
IUPAC Name 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one
Molecular Mass 243.283 g·mol−1
Heat of Formation -438.8 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 268.07 Å 3
Surface Area 243.81 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrothiophenyl]-2-pyrimidinone
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrothiophen-2-yl]pyrimidin-2-one
InChIKey MOMUJZRKXYLWMH-SHYZEUOFSA-N
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