Ccpa

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Properties Simple | Detailed

Formula C15H20ClN5O4
IUPAC Name (2r,3r,4s,5r)-2-[2-chloro-6-(cyclopentylamino)purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 369.803 g·mol−1
Heat of Formation -517.0 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 409.31 Å 3
Surface Area 361.23 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[2-chloro-6-(cyclopentylamino)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • 2-chloro-n(6)cyclopentyladenosine
  • 2-chloro-n6-cyclopentyladenosine
  • adenosine, 2-chloro-n-cyclopentyl-
  • pdsp1_000305
  • pdsp1_000831
  • pdsp1_001070
  • pdsp2_000303
  • pdsp2_000818
  • pdsp2_001054
CAS Number(s)
  • 37739-05-2
InChIKey XSMYYYQVWPZWIZ-IDTAVKCVSA-N
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Elements H C N O Cl