[(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
Properties
Property | Value |
---|---|
Formula | C22H23N2O9S+ |
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 | 491.491 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 |
QR Code | Generate QR Code |
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Elements | H C S O N |