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UNKNOWN STEREO
MCULE-9076508772
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 | 166 USD | N/A | 47 working days | Get Quote |
| 5 mg | 380 USD | N/A | 47 working days | Get Quote |
| 10 mg | 570 USD | N/A | 47 working days | Get Quote |
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1
MCULE-5373538540
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9076508772.sdf |
| SMILES | MCULE-9076508772.smiles |
| Standard InChI | MCULE-9076508772.inchi |
| InChIKey | MCULE-9076508772.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1274333523 | 95 | As is | unavailable |
| P-1274342567 | 95 | As is | 197 mg |
| P-1274354254 | 95 | As is | 194 mg |
| P-874610694 | 98 | Main component | by resynthesis (? - ? days) |
| P-851744846 | N/A | Main component | by synthesis |
| P-889496553 | 95 | Main component | by synthesis |
| P-904244169 | 95 | Main component | unavailable |
| P-869108779 | 95 | Main component | 9 mg |
| P-888627624 | 95 | Main component | 9 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 538.968 |
| logP | 0.742 |
| H-bond acceptors | 17 |
| H-bond donors | 8 |
| Rotatable bonds | 12 |
| PSA | 288.08 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 122.1769 |
| Atoms | 62 |
| Rings | 3 |
| Heavy atoms | 35 |
| Hydrogen atoms | 27 |
| Heteroatoms | 19 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
