2'-Deoxy-5-Vinylcytidine

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Properties Simple | Detailed

Formula C11H15N3O4
IUPAC Name 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-vinyl-pyrimidin-2-one
Molecular Mass 253.254 g·mol−1
Heat of Formation -557.4 ± 16.7 kJ·mol−1
Dipole Moment 6.60 ± 1.08 D
Volume 291.02 Å 3
Surface Area 259.94 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-vinyl-2-pyrimidinone
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-vinyl-pyrimidin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-vinyl-pyrimidin-2-one
  • 4-amino-5-ethenyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 5-vinyl-2'-deoxycytidine
  • cytidine, 2'-deoxy-5-ethenyl-
CAS Number(s)
  • 84574-81-2
InChIKey XMXZVTAHPMDQDZ-DJLDLDEBSA-N
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