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UNKNOWN STEREO
MCULE-5779502729-1
Structure
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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 | 61 USD | 95 | 35 working days | Get Quote |
| 5 mg | 135 USD | 95 | 35 working days | Get Quote |
| 10 mg | 213 USD | 95 | 35 working days | Get Quote |
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1
MCULE-1511678412-0
- Component type: Main
-
1
MCULE-8295936189-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5779502729-1.sdf |
| SMILES | MCULE-5779502729-1.smiles |
| Standard InChI | MCULE-5779502729-1.inchi |
| InChIKey | MCULE-5779502729-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-896041429 | 95 | As is | by synthesis |
| P-867678729 | 98 | Main component | in stock |
| P-875856315 | N/A | Main component | in stock |
| P-595218138 | 98 | Main component | in stock |
| P-596974407 | 98 | Main component | 25 mg |
| P-869173042 | 95 | Main component | by synthesis |
| P-888664165 | 95 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1664.007 |
| logP | 6.3644 |
| H-bond acceptors | 41 |
| H-bond donors | 26 |
| Rotatable bonds | 69 |
| PSA | 699.0 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 444.5609 |
| Atoms | 248 |
| Rings | 3 |
| Heavy atoms | 118 |
| Hydrogen atoms | 130 |
| Heteroatoms | 41 |
| N/O atoms | 41 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 12 |
| R/S chiral centers | 12 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 3 |
| Undefined stereo double bonds | 0 |
