[5-[6-Amino-2-(3-Aminopropylsulfanyl)Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

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Formula C13H22N6O10P2S
IUPAC Name [(2r,3s,4r,5r)-5-[6-amino-2-(3-aminopropylsulfanyl)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 516.361 g·mol−1
Heat of Formation -2214.6 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 526.03 Å 3
Surface Area 396.22 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey GESRDRIVMAOVGE-WJOUQXRDSA-N
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