5-Methoxycytidine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H16N3O9P
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-5-methoxy-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 353.223 g·mol−1
Heat of Formation -1798.4 ± 16.7 kJ·mol−1
Dipole Moment 7.49 ± 1.08 D
Volume 356.88 Å 3
Surface Area 305.14 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-cytidylic acid, 5-methoxy-, homopolymer
  • [(2r,3s,4r,5r)-5-(4-amino-2-keto-5-methoxy-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-methoxy-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-methoxy-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-methoxy-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-methoxy-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • p-5-mca
  • poly(5-methoxycytidylic acid)
CAS Number(s)
  • 76528-22-8
InChIKey XHZJCCUDONFSLA-JXOAFFINSA-N
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