4-[[(2S,4As,6S,7S,7Ar)-6-(6-Aminopurine-1,3,7-Triium-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 C14H16N5O9P
IUPAC Name 4-[[(2s,4as,6s,7s,7ar)-6-(6-aminopurine-1,3,7-triium-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 429.279 g·mol−1
Heat of Formation -1641.4 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 433.79 Å 3
Surface Area 374.62 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey PMEDKGUENAOQLN-MLYBJDBDSA-O
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