2(1H)-Pyrimidinone, 4-Amino-1-(3-O-β-D-Galactopyranosyl-β-D-Arabinofuranosyl)-

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Properties Simple | Detailed

Formula C15H23N3O10
IUPAC Name 4-amino-1-[(2r,3s,4s,5r)-3-hydroxy-5-(hydroxymethyl)-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 405.357 g·mol−1
Heat of Formation -1680.8 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 439.6 Å 3
Surface Area 369.96 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-o-gal-ara-c
  • 3'-o-galactopyranosyl-ara-c
  • 3'-o-galactopyranosylcytarabine
  • 4-amino-1-[(2r,3s,4s,5r)-3-hydroxy-5-(hydroxymethyl)-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4s,5r)-3-hydroxy-5-(hydroxymethyl)-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4s,5r)-3-hydroxy-5-(hydroxymethyl)-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4s,5r)-3-hydroxy-5-(hydroxymethyl)-4-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,4s,5r)-3-hydroxy-5-methylol-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Number(s)
  • 155603-72-8
InChIKey DHNKPBBSFXICPK-WUKGOCQWSA-N
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