8-Chloroadenosine

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Properties Simple | Detailed

Formula C10H12ClN5O4
IUPAC Name (2r,3r,4s,5r)-2-(6-amino-8-chloro-purin-9-ium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 301.686 g·mol−1
Heat of Formation -476.3 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 307.36 Å 3
Surface Area 267.99 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(6-amino-8-chloro-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-8-chloro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-8-chloro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-8-chloro-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • 8-chloro-adenosine
  • adenosine,8-chloro
InChIKey MHDPPLULTMGBSI-UUOKFMHZSA-N
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Elements H C N O Cl