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UNKNOWN STEREO
MCULE-9478247553
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 504 USD | N/A | 47 working days | Get Quote |
| 5 mg | 504 USD | N/A | 47 working days | Get Quote |
| 10 mg | 504 USD | N/A | 47 working days | Get Quote |
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1
MCULE-5109340999
- Component type: Main
-
1
MCULE-9920754312
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9478247553.sdf |
| SMILES | MCULE-9478247553.smiles |
| Standard InChI | MCULE-9478247553.inchi |
| InChIKey | MCULE-9478247553.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869134056 | 95 | As is | unavailable |
| P-888643781 | 95 | As is | unavailable |
| P-1266388105 | N/A | Main component | by synthesis |
| P-1264937855 | N/A | Main component | by synthesis |
| P-881617886 | N/A | Main component | by synthesis |
| P-869134055 | 95 | Main component | unavailable |
| P-888643780 | 95 | Main component | unavailable |
| P-611484881 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 573.674 |
| logP | 5.9062 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 105.53 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 165.3466 |
| Atoms | 81 |
| Rings | 5 |
| Heavy atoms | 42 |
| Hydrogen atoms | 39 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
