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

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Properties Simple | Detailed

Formula C15H23N6O5S+
IUPAC Name (3-amino-3-carboxy-propyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium
Molecular Mass 399.445 g·mol−1
Heat of Formation 1176.8 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 421.06 Å 3
Surface Area 364.96 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -3.04 ± eV
Point Group Symmetry C1
InChIKey MEFKEPWMEQBLKI-FCKMPRQPSA-O
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