1-(β-D-Arabinofuranosyl)-4-[(Chloroacetyl)Amino]-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C11H14ClN3O6
IUPAC Name 2-chloro-n-[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]acetamide
Molecular Mass 319.698 g·mol−1
Heat of Formation -998.0 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 334.4 Å 3
Surface Area 302.52 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-n-[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-oxo-4-pyrimidinyl]acetamide
  • 2-chloro-n-[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-pyrimidin-4-yl]ethanamide
  • 2-chloro-n-[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
  • 2-chloro-n-[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]acetamide
  • 2-chloro-n-[1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]acetamide
  • acetamide, n-(1-beta-d-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-2-chloro-
  • n(4)-chloroacetylcytarabine
  • n(4)-chloroacetylcytosine arabinoside
CAS Number(s)
  • 113737-52-3
InChIKey WEJWVQRPBCYTRE-STRWAFKBSA-N
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Elements H C N O Cl