[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Phosphonooxy-Phosphoryl]Oxymethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl] (2R)-2-Amino-3-Sulfanyl-Propanoate

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Formula C18H28N6O15P2S
IUPAC Name [(2s,3r,4s,5r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-phosphonooxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl] (2r)-2-amino-3-sulfanyl-propanoate
Molecular Mass 662.459 g·mol−1
Heat of Formation -3097.5 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 658.17 Å 3
Surface Area 440.48 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey DJRZTMNFHIKBDV-JNCBEGNDSA-O
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