6-[(2R,3S)-3-Carboxy-2-[(R)-Hydroxysulfinyl]-2-Methyl-3-(3-Oxopropylamino)Propoxy]-6-Oxo-Hexanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C14H23NO9S |
| IUPAC Name | 6-[(2r,3s)-3-carboxy-2-[(r)-hydroxysulfinyl]-2-methyl-3-(3-oxopropylamino)propoxy]-6-oxo-hexanoic acid |
| Molecular Mass | 381.399 g·mol−1 |
| Heat of Formation | -1694.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.76 ± 1.08 D |
| Volume | 428.1 Å 3 |
| Surface Area | 375.03 Å 2 |
| HOMO Energy | -9.54 ± 0.55 eV |
| LUMO Energy | 0.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XJDMDWLRMVEPAR-JSGCOSHPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |