[(1R)-1-(2-Nitrophenyl)Ethyl]Sulfanyl-[(1S,2R,3S,4S,5R,6S)-2,4,5-Trihydroxy-3,6-Diphosphonooxy-Cyclohexoxy]Phosphinic Acid

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Formula C14H22NO16P3S
IUPAC Name [(1r)-1-(2-nitrophenyl)ethyl]sulfanyl-[(1s,2r,3s,4s,5r,6s)-2,4,5-trihydroxy-3,6-diphosphonooxy-cyclohexoxy]phosphinic acid
Molecular Mass 585.308 g·mol−1
Heat of Formation -3415.9 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 581.88 Å 3
Surface Area 426.13 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
InChIKey AGONPIHQHPQUSJ-MOWZACQSSA-N
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