4-Amino-1-{5-O-[{[(Cyclohexylmethoxy)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]-β-D-Arabinofuranosyl}-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C16H27N3O11P2
IUPAC Name [[(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] cyclohexylmethyl hydrogen phosphate
Molecular Mass 499.347 g·mol−1
Heat of Formation -2562.7 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 539.46 Å 3
Surface Area 406.26 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyrimidinone, 4-amino-1-(5-o-(5-cyclohexyl-1,3-dihydroxy-2,4-dioxa-1,3-diphosphapent-1-yl)-beta-d-arabinofuranosyl)-, p,p'-dioxide
  • [[(2r,3s,4s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] cyclohexylmethyl hydrogen phosphate
  • [[(2r,3s,4s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] cyclohexylmethyl hydrogen phosphate
  • [[(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] cyclohexylmethyl hydrogen phosphate
  • [[(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] cyclohexylmethyl hydrogen phosphate
  • [[(2r,3s,4s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] cyclohexylmethyl hydrogen phosphate
  • ara-cdp 1-cyclohexylmethyl ester
  • p(1)-(1-cyclohexylmethyl)-p(2)-(1-beta-arabinofuranosylcytosin-5'-yl)pyrophosphate
CAS Number(s)
  • 93605-02-8
InChIKey AIXDZPFQYGJQRM-REBRKWNGSA-N
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