About CID 11200353
CID 11200353 (PubChem CID 11200353) has the molecular formula C23H29BOPS
and a molecular weight of 395.34 g/mol.
Molecular Properties
| Compound Name | CID 11200353 |
|---|
| PubChem CID | 11200353 |
|---|
| Molecular Formula | C23H29BOPS |
|---|
| Molecular Weight | 395.34 g/mol |
|---|
| Exact Mass | 395.18 |
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| IUPAC Name | — |
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| SMILES | C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H](P(c1ccccc1)c1ccccc1)SC2(C)C.[B] |
|---|
| InChI | InChI=1S/C23H29OPS.B/c1-17-14-15-20-21(16-17)24-22(26-23(20,2)3)25(18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13,17,20-22H,14-16H2,1-3H3;/t17-,20-,21-,22+;/m1./s1 |
|---|
| InChIKey | IZCRNBRZDDSCSX-XARMAGDXSA-N |
|---|
| XLogP | 5.37 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 395.34 |
| LogP ≤ 5 | 5.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 11200353?
The IUPAC name of CID 11200353 (CID 11200353) is not available.
What is the SMILES notation for CID 11200353?
The canonical SMILES for CID 11200353 is C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H](P(c1ccccc1)c1ccccc1)SC2(C)C.[B].
What is the InChIKey of CID 11200353?
The InChIKey is IZCRNBRZDDSCSX-XARMAGDXSA-N. The full InChI is InChI=1S/C23H29OPS.B/c1-17-14-15-20-21(16-17)24-22(26-23(20,2)3)25(18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13,17,20-22H,14-16H2,1-3H3;/t17-,20-,21-,22+;/m1./s1.
What are the key properties of CID 11200353?
CID 11200353 has a molecular weight of 395.34 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11200353 is sourced from PubChem (CID 11200353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).