About CID 58525950
CID 58525950 (PubChem CID 58525950) has the molecular formula C11H18O8P
and a molecular weight of 309.23 g/mol.
Molecular Properties
| Compound Name | CID 58525950 |
|---|
| PubChem CID | 58525950 |
|---|
| Molecular Formula | C11H18O8P |
|---|
| Molecular Weight | 309.23 g/mol |
|---|
| Exact Mass | 309.07 |
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| IUPAC Name | — |
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| SMILES | O=C(O)CC[CH]CP(=O)(O)CC(CCC(=O)O)C(=O)O |
|---|
| InChI | InChI=1S/C11H18O8P/c12-9(13)3-1-2-6-20(18,19)7-8(11(16)17)4-5-10(14)15/h2,8H,1,3-7H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19) |
|---|
| InChIKey | LQDGUKMGZHWHHA-UHFFFAOYSA-N |
|---|
| XLogP | 0.89 |
|---|
| TPSA | 149.20 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 20 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 309.23 |
| LogP ≤ 5 | 0.89 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 58525950?
The IUPAC name of CID 58525950 (CID 58525950) is not available.
What is the SMILES notation for CID 58525950?
The canonical SMILES for CID 58525950 is O=C(O)CC[CH]CP(=O)(O)CC(CCC(=O)O)C(=O)O.
What is the InChIKey of CID 58525950?
The InChIKey is LQDGUKMGZHWHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O8P/c12-9(13)3-1-2-6-20(18,19)7-8(11(16)17)4-5-10(14)15/h2,8H,1,3-7H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19).
What are the key properties of CID 58525950?
CID 58525950 has a molecular weight of 309.23 g/mol, XLogP of 0.89, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58525950 is sourced from PubChem (CID 58525950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).