[(1R,2R,4S,5S)-4-[2-Chloro-6-(Methylamino)-9H-Purin-9-Yl]-2-(Phosphonooxy)Bicyclo[3.1.0]Hex-1-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C13H15ClN5O8P2T3
IUPAC Name [4-[2-chloro-6-(tritritiomethylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Molecular Mass 475.736 g·mol−1
Heat of Formation -1749.9 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 472.44 Å 3
Surface Area 395.24 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey NDCFGYFBDZLTJB-ZYPMPIKKSA-N
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Elements C Cl H O N P