4-Amino-1-(5-O-Octanoyl-β-D-Arabinofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C17H27N3O6+
IUPAC Name [(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl octanoate
Molecular Mass 369.413 g·mol−1
Heat of Formation -1104.7 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 459.28 Å 3
Surface Area 375.95 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyrimidinone, 4-amino-1-(5-o-(1-oxooctyl)-beta-d-arabinofuranosyl)-
  • 4-amino-1-(5-o-(1-oxooctyl)-beta-d-arabinofuranosyl)-2(1h)-pyrimidinone
  • [(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl octanoate
  • [(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl octanoate
  • [(2r,3s,4s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl octanoate
  • ara-c 5'-octanoate
  • caprylic acid [(2r,3s,4s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • cytarabine 5'-octanoate
  • octanoic acid [(2r,3s,4s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
CAS Number(s)
  • 31088-08-1
InChIKey ZBKLVTBZDUWUFR-BQDHKBFISA-N
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