[(1R,2S)-1-(2-Aminoethylcarbamoyloxymethyl)-2-Carboxy-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 | C17H23N4O7S+ |
| IUPAC Name | [(1r,2s)-1-(2-aminoethylcarbamoyloxymethyl)-2-carboxy-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 | 427.452 g·mol−1 |
| Heat of Formation | -946.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.13 ± 1.08 D |
| Volume | 475.96 Å 3 |
| Surface Area | 403.85 Å 2 |
| HOMO Energy | -8.44 ± 0.55 eV |
| LUMO Energy | -0.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BPHOZFHOKUQOLO-XBVWHCOISA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |