9-(2-Deoxy-5-O-Phosphonopentofuranosyl)-2-[(3-Sulfanylpropyl)Amino]-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C13H21N5O7PS
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[6-oxo-2-(3-sulfanylpropylamino)-3h-purine-1,7-diium-4-id-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 422.374 g·mol−1
Heat of Formation -1305.7 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 455.1 Å 3
Surface Area 374.7 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey WHYGVXCTIDHHFD-DJLDLDEBSA-N
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