[(3S)-3-Amino-3-Carboxypropyl]{[(2S,3R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl}Ethylsulfonium

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Properties Simple | Detailed

Formula C16H25N6O5S+
IUPAC Name carbon dioxide; [(5r)-5-[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]-3,4-dioxo-tetrahydrofuran-2-yl]methyl-(2-cyanoethynyl)-ethynyl-sulfonium
Molecular Mass 413.472 g·mol−1
Heat of Formation 1257.8 ± 16.7 kJ·mol−1
Dipole Moment 12.60 ± 1.08 D
Volume 421.17 Å 3
Surface Area 376.12 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -2.57 ± eV
Point Group Symmetry C1
InChIKey UBQZUBPODLPCFG-MUEDHZRXSA-N
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