[(1R,2S,4S,5S)-4-[2-Iodo-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 C13H8IN5O8P2
IUPAC Name [(1r,2s,4s,5s)-4-[2-iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Molecular Mass 551.083 g·mol−1
Heat of Formation 245.9 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 434.6 Å 3
Surface Area 379.95 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -2.54 ± eV
Point Group Symmetry C1
InChIKey NMVWLEUONAKGCD-SMWKGLLFSA-N
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