3-Hydroxy-5-{[Hydroxy(Thiophosphonooxy)Phosphoryl]Oxy}-3-Methylpentanoic Acid

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Properties Simple | Detailed

Formula C6H14O9P2S
IUPAC Name (3s)-5-[dihydroxyphosphinothioyloxy(hydroxy)phosphoryl]oxy-3-hydroxy-3-methyl-pentanoic acid
Molecular Mass 324.182 g·mol−1
Heat of Formation -2379.6 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 320.7 Å 3
Surface Area 273.1 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
InChIKey ZEFWIZHBIYROBB-LURJTMIESA-N
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