2-Chloro-9-(5-O-Phosphono-L-Ribofuranosyl)-9H-Purin-6-Ol

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Properties Simple | Detailed

Formula C10H12ClN4O8P
IUPAC Name [(2r,3s,4r,5r)-5-(2-chloro-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 382.651 g·mol−1
Heat of Formation -506.4 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 335.88 Å 3
Surface Area 296.51 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -3.88 ± eV
Point Group Symmetry C1
InChIKey PDEHTPJGNSQPMN-HFXAWCPLSA-N
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Elements P C N O Cl