[(1R,2S)-2-Carboxy-1-[[2-(3,4-Dihydroxycyclohexyl)Acetyl]Oxymethyl]-2-[(2-Formyl-5,6,7,8-Tetrahydro-1H-Indolizine-1,2,3,5,6,7,8,8A-Octaid-3-Yl)Amino]-1-Methyl-Ethyl]-Hydroxy-Oxido-Sulfonium

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Formula C22H38N2O9S+
IUPAC Name [(1r,2s)-2-carboxy-1-[[2-(3,4-dihydroxycyclohexyl)acetyl]oxymethyl]-2-[(2-formyl-5,6,7,8-tetrahydro-1h-indolizine-1,2,3,5,6,7,8,8a-octaid-3-yl)amino]-1-methyl-ethyl]-hydroxy-oxido-sulfonium
Molecular Mass 506.610 g·mol−1
Heat of Formation -1249.6 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 532.1 Å 3
Surface Area 441.32 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
InChIKey UQQKPOSRMFDVBO-HESHSAHESA-O
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