(2S,3S,4R,5R,6S)-1-[(2R,3S,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydro-1-Thiopheniumyl]-2,4,5,6,7-Pentahydroxy-3-Heptanyl Sulfate

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Properties Simple | Detailed

Formula C12H24O12S2
IUPAC Name [(z,1z)-1-[2-[(1s,5e)-3,4-dihydroxy-5-(hydroxymethylene)-2h-thiophen-2-id-1-yl]ethylidene]-3,5-dihydroxy-2-oxo-pent-3-enyl] hydroxy sulfite; hydron; dihydrate
Molecular Mass 424.442 g·mol−1
Heat of Formation -416.5 ± 16.7 kJ·mol−1
Dipole Moment 9.87 ± 1.08 D
Volume 337.2 Å 3
Surface Area 284.71 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
InChIKey OMKXVFDVAGCPBS-QTIKZJLFSA-N
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