1-Methyl-9-(5-O-Phosphono-β-D-Arabinofuranosyl)-1,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C11H21N4O8P
IUPAC Name [(2s,3r,4r,5r)-3,4-dihydroxy-5-(1-methyl-6-oxo-2,8-dihydropurine-2,3,4,5,7,8-hexaid-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 368.280 g·mol−1
Heat of Formation -1522.3 ± 16.7 kJ·mol−1
Dipole Moment 8.99 ± 1.08 D
Volume 365.66 Å 3
Surface Area 319.18 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey CPKNFRPSNBOHIM-WOIOKPISSA-N
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