Methyl 4-(((3Ar,4R,5R,6As)-3,3A,4,5,6,6A-Hexahydro-5-Hydroxy-4-((E)-(3S)-3-Hydroxy-1-Octenyl)Cyclopenta[B]Pyrrol-2-Yl)Thio)Butyrate
Properties
| Property | Value |
|---|---|
| Formula | C20H33NO4S |
| IUPAC Name | methyl 4-[[(3as,4s,5s,6ar)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]sulfanyl]butanoate |
| Molecular Mass | 383.545 g·mol−1 |
| Heat of Formation | -806.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.55 ± 1.08 D |
| Volume | 493.31 Å 3 |
| Surface Area | 422.79 Å 2 |
| HOMO Energy | -8.88 ± 0.55 eV |
| LUMO Energy | -0.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | TUOQTRVLPKMMDB-DLQLYUHFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |