5'-O-[{[(2-Aminoethoxy)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Cytidine

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Properties Simple | Detailed

Formula C11H20N4O11P2
IUPAC Name [2-aminoethoxy(hydroxy)phosphoryl] [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 446.244 g·mol−1
Heat of Formation -2443.4 ± 16.7 kJ·mol−1
Dipole Moment 12.27 ± 1.08 D
Volume 455.67 Å 3
Surface Area 366.81 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2-aminoethoxy-hydroxy-phosphoryl) [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • (2-aminoethoxy-hydroxy-phosphoryl) [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • (2-aminoethoxy-hydroxy-phosphoryl) [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • (2-aminoethoxy-hydroxyphosphoryl) [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • (2-aminoethoxy-hydroxyphosphoryl) [(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
  • cdp ethanolamine
  • cytidine 5'-(trihydrogen diphosphate), p'-(2-aminoethyl) ester
InChIKey WVIMUEUQJFPNDK-PEBGCTIMSA-N
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