Cladribine

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Properties Simple | Detailed

Formula C10H12ClN5O3
IUPAC Name (2r,3s,5r)-5-(6-amino-2-chloro-purin-9-ium-3-id-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 285.687 g·mol−1
Heat of Formation -319.0 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 299.72 Å 3
Surface Area 262.91 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-5-(6-amino-2-chloro-9-purinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
  • (2r,3s,5r)-5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-(6-amino-2-chloro-purin-9-yl)-2-methylol-tetrahydrofuran-3-ol
  • 2 chlorodeoxyadenosine
  • 2-cda
  • 2-chloro-2'-deoxy-beta-adenosine
  • 2-chloro-2'-deoxyadenosine
  • 2-chloro-6-amino-9-(2-deoxy-beta-d-erythropentofuranosyl)purine
  • 2-chlorodeoxyadenosine
  • adenosine, 2-chloro-2'-deoxy
  • adenosine, 2-chloro-2'-deoxy-
  • chlorodeoxyadenosine
  • cladribine (jan/usan)
  • d01370
  • leustatin
  • rwj 26251
CAS Number(s)
  • 24757-90-2
  • 4291-63-8
InChIKey PTOAARAWEBMLNO-KVQBGUIXSA-N
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