4-[[(2S,4As,6S,7S,7Ar)-6-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-2-Hydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Yl]Oxy]-4-Oxo-Butanoic Acid

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Formula C14H17N5O10P
IUPAC Name 4-[[(2s,4as,6s,7s,7ar)-6-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl]oxy]-4-oxo-butanoic acid
Molecular Mass 446.286 g·mol−1
Heat of Formation -1763.1 ± 16.7 kJ·mol−1
Dipole Moment 14.88 ± 1.08 D
Volume 445.59 Å 3
Surface Area 386.94 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey BTHUJRMZCHQRLI-SFUOOENHSA-P
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