(3R)-4-[2-(3,4-Dihydroxyphenyl)Acetoxy]-N-(2-Formyl-3-Indolizinyl)-3-Sulfinovaline

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Properties Simple | Detailed

Formula C22H38N2O9S+
IUPAC Name [(1r,2s)-2-carboxy-1-[[2-(3,4-dihydroxyphenyl)acetyl]oxymethyl]-2-[(2-formylindolizin-4-ium-8a-ylium-3-yl)amino]-1-methyl-ethyl]-hydroxy-oxido-sulfonium
Molecular Mass 506.610 g·mol−1
Heat of Formation -1228.1 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 539.9 Å 3
Surface Area 433.78 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey DEOZLEGRVHDNKC-UGKGYDQZSA-N
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