9-(β-D-Arabinofuranosyl)-6-Chloro-9H-Purin-2-Amine

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Properties Simple | Detailed

Formula C10H12ClN5O4
IUPAC Name (2r,3r,4s,5r)-2-(2-amino-6-chloro-purine-1,3,7-triium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 301.686 g·mol−1
Heat of Formation -467.9 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 310.02 Å 3
Surface Area 274.3 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
InChIKey TXWHPSZYRUHEGT-UUOKFMHZSA-O
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Elements H C Cl O N