2'-Deoxy-5-(Methoxymethyl)-N-Methylcytidine

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Properties Simple | Detailed

Formula C12H19N3O5
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(methoxymethyl)-4-(methylamino)pyrimidin-2-one
Molecular Mass 285.296 g·mol−1
Heat of Formation -799.0 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 332.2 Å 3
Surface Area 294.21 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-(methoxymethyl)-4-methylamino-2-pyrimidinone
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)-4-methylamino-pyrimidin-2-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(methoxymethyl)-4-methylamino-pyrimidin-2-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-(methoxymethyl)-4-methylamino-pyrimidin-2-one
  • 5-methoxymethyl-n(4)-methyl-2'-deoxycytidine
  • 5-mmmdc
CAS Number(s)
  • 135000-71-4
InChIKey CZRYOFPBYHGRBK-IVZWLZJFSA-N
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