2'-O-Ethylcytidine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C11H18N3O8P
IUPAC Name [(2r,3r,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-ethoxy-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 351.250 g·mol−1
Heat of Formation -1632.7 ± 16.7 kJ·mol−1
Dipole Moment 7.45 ± 1.08 D
Volume 370.66 Å 3
Surface Area 326.02 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-cytidylic acid, 2'-o-ethyl-, homopolymer
  • [(2r,3r,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-ethoxy-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-ethoxy-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-ethoxy-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-ethoxy-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly(2'-o-ethylcytidylate)
CAS Number(s)
  • 58998-59-7
InChIKey DMHKUNHOLFJORR-PEBGCTIMSA-N
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