5'-O-{[(4-Chlorobenzoyl)Oxy](Hydroxy)Phosphoryl}Adenosine

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Properties Simple | Detailed

Formula C17H17ClN5O8P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 4-chlorobenzoate
Molecular Mass 485.772 g·mol−1
Heat of Formation -1445.2 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 494.03 Å 3
Surface Area 358.22 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey RVDNKWBGRIIRML-XNIJJKJLSA-N
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Elements C Cl H O N P