2-(Ethylsulfanyl)Adenosine 5'-(Dihydrogen Phosphate)

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Formula C12H18N5O7PS
IUPAC Name [(2r,3r,4r,5r)-5-(6-amino-2-ethylsulfanyl-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 407.339 g·mol−1
Heat of Formation -1373.2 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 424.07 Å 3
Surface Area 350.35 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey KSEHCVZYQVNMHL-GZCUOZMLSA-N
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