2'-Chloro-2'-Deoxyadenosine 5'-(Dihydrogen Phosphate)

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Formula C10H13ClN5O6P
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-chloro-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 365.667 g·mol−1
Heat of Formation -1188.5 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 358.46 Å 3
Surface Area 295.98 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey NQHONDYKQCGOQI-CIXYTLPCSA-N
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Elements C Cl H O N P