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

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Properties Simple | Detailed

Formula C9H14N3O8P
IUPAC Name [(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 323.197 g·mol−1
Heat of Formation -1626.0 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 327.06 Å 3
Surface Area 293.27 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1-beta-d-arabinofuranosylcytosine 5'-monophosphate
  • 1-beta-d-arabinofuranosylcytosine 5'-phosphate
  • 1beta-arabino-furanosylcytosine-5'-monophosphoric acid, d-
  • 2(1h)-pyrimidinone, 4-amino-1-(5-o-phosphono-beta-d-arabinofuranosyl)-
  • [(2r,3s,4s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • ara 5'-cmp
  • ara-cmp
  • arabinosylcytosine 5'-monophosphate
  • aracmp
  • aracytidine 5'-monophosphate
  • aracytidine 5'-phosphate
  • car
  • cytarabine 5'-monophosphate
  • cytosine arabinose-5'-phosphate
  • cytosine arabinoside 5'-monophosphate
  • cytosine arabinoside 5'-phosphate
  • cytosine arabinoside 5'mp
  • cytosine arabinoside monophosphate
  • cytosine beta-d-arabinofuranoside 5′-monophosphate
  • cytosine, 1-beta-d-arabinofuranosyl-, 5'-(dihydrogen phosphate) (8ci)
  • phosphoric acid mono-[(2r,3s,4s,5r)-5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester
CAS Number(s)
  • 7075-11-8
InChIKey IERHLVCPSMICTF-CCXZUQQUSA-N
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