5'-O-(Dimethoxyphosphoryl)Cytidine

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Properties Simple | Detailed

Formula C11H18N3O8P
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dimethyl phosphate
Molecular Mass 351.250 g·mol−1
Heat of Formation -1580.1 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 373.77 Å 3
Surface Area 327.05 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-cytidylic acid, 2-(acetylamino)-3-o-(2-((2-((1-carboxy-3-((5,6-diamino-1-carboxy-6-oxohexyl)amino)-3-oxopropyl)amino)-1-methyl-2-oxoethyl)amino)-1-methyl-2-oxoethyl)-2-deoxy-, (1s-(1r*(s*(r*(s*))),5s*))-
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dimethyl phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dimethyl phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate
  • c-5-o-dmp
  • cytidine-5'-o-dimethylphosphate
  • phosphoric acid [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dimethyl ester
  • phosphoric acid [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dimethyl ester
CAS Number(s)
  • 94369-26-3
InChIKey ZRWXTABCMCKYMY-PEBGCTIMSA-N
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