2-[[9-[(2R,4As,6R,7R,7Ar)-2,7-Dihydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-8-Yl]Sulfanyl]Acetic Acid

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Formula C12H15N5O9PS
IUPAC Name 2-[[9-[(2r,4as,6r,7r,7ar)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-6-oxo-3h-purine-1,7-diium-4-id-8-yl]sulfanyl]acetic acid
Molecular Mass 436.314 g·mol−1
Heat of Formation -1519.2 ± 16.7 kJ·mol−1
Dipole Moment 10.61 ± 1.08 D
Volume 420.33 Å 3
Surface Area 367.09 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey XHLCOCJBEMIUOR-FTCMTTLMSA-P
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