2-[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Ethyl-Phosphonooxy-Phosphinic Acid

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Formula C11H17N5O9P2
IUPAC Name 2-[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl-phosphonooxy-phosphinic acid
Molecular Mass 425.228 g·mol−1
Heat of Formation -1954.0 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 432.19 Å 3
Surface Area 365.51 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey BZNFKFBZNBMJLY-IOSLPCCCSA-O
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