[(2S)-2-Amino-4-Methylsulfanyl-Butyl] [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C15H25N6O7PS
IUPAC Name [(2s)-2-amino-4-methylsulfanyl-butyl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 464.434 g·mol−1
Heat of Formation -1338.6 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 506.39 Å 3
Surface Area 373.08 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey GMYPQINCQLJLHP-OPYVMVOTSA-O
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