| Formula |
C19H27NO4S |
| IUPAC Name |
[(3r)-quinuclidin-3-yl] (2r)-2-(hydroxymethyl)-4-[(s)-methylsulfinyl]-2-phenyl-butanoate |
| Molecular Mass |
365.487 g·mol−1 |
| Heat of Formation |
-634.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.63 ± 1.08 D |
| Volume |
441.6 Å 3 |
| Surface Area |
347.91 Å 2 |
| HOMO Energy |
-8.65 ± 0.55 eV |
| LUMO Energy |
-0.27 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r)-2-(hydroxymethyl)-4-[(s)-methylsulfinyl]-2-phenylbutanoic acid [(3r)-3-quinuclidinyl] ester
- (2r)-2-methylol-4-[(s)-methylsulfinyl]-2-phenyl-butyric acid [(3r)-quinuclidin-3-yl] ester
- [(3r)-quinuclidin-3-yl] (2r)-2-(hydroxymethyl)-4-[(s)-methylsulfinyl]-2-phenyl-butanoate
- [(8r)-1-azabicyclo[2.2.2]octan-8-yl] (2r)-2-(hydroxymethyl)-4-[(s)-methylsulfinyl]-2-phenyl-butanoate
- [(8r)-1-azabicyclo[2.2.2]octan-8-yl] (2r)-2-(hydroxymethyl)-4-[(s)-methylsulfinyl]-2-phenylbutanoate
- uk-112166
- uk-112166-04
|
| InChIKey |
VGXACJMXDYPFDB-KMEZTADASA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
|
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