[4-(6-Amino-2-Chloro-9H-Purin-9-Yl)-2,3-Dihydroxybicyclo[3.1.0]Hex-1-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C12H15ClN5O6P
IUPAC Name [(1s,2r,3s,4r,5s)-2-(6-amino-2-chloro-purin-9-ium-9-yl)-3,4-dihydroxy-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Molecular Mass 391.704 g·mol−1
Heat of Formation -834.1 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 393.88 Å 3
Surface Area 347.84 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey FTSUGKZNIRUKKK-OFVUKCMBSA-N
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Elements C Cl H O N P