About pentasodium;pentakis((E)-pent-2-enoate)
pentasodium;pentakis((E)-pent-2-enoate) (PubChem CID 91885279) has the molecular formula C25H35Na5O10
and a molecular weight of 610.50 g/mol. Its IUPAC name is pentasodium;pentakis((E)-pent-2-enoate).
Molecular Properties
| Compound Name | pentasodium;pentakis((E)-pent-2-enoate) |
|---|
| PubChem CID | 91885279 |
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| Molecular Formula | C25H35Na5O10 |
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| Molecular Weight | 610.50 g/mol |
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| Exact Mass | 610.17 |
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| IUPAC Name | pentasodium;pentakis((E)-pent-2-enoate) |
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| SMILES | CC/C=C/C(=O)[O-].CC/C=C/C(=O)[O-].CC/C=C/C(=O)[O-].CC/C=C/C(=O)[O-].CC/C=C/C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+] |
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| InChI | InChI=1S/5C5H8O2.5Na/c5*1-2-3-4-5(6)7;;;;;/h5*3-4H,2H2,1H3,(H,6,7);;;;;/q;;;;;5*+1/p-5/b5*4-3+;;;;; |
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| InChIKey | UDYVIWRPBMKUAL-MHDHIPSBSA-I |
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| XLogP | -16.47 |
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| TPSA | 200.65 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 610.50 |
| LogP ≤ 5 | -16.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of pentasodium;pentakis((E)-pent-2-enoate)?
The IUPAC name of pentasodium;pentakis((E)-pent-2-enoate) (CID 91885279) is pentasodium;pentakis((E)-pent-2-enoate).
What is the SMILES notation for pentasodium;pentakis((E)-pent-2-enoate)?
The canonical SMILES for pentasodium;pentakis((E)-pent-2-enoate) is CC/C=C/C(=O)[O-].CC/C=C/C(=O)[O-].CC/C=C/C(=O)[O-].CC/C=C/C(=O)[O-].CC/C=C/C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentasodium;pentakis((E)-pent-2-enoate)?
The InChIKey is UDYVIWRPBMKUAL-MHDHIPSBSA-I. The full InChI is InChI=1S/5C5H8O2.5Na/c5*1-2-3-4-5(6)7;;;;;/h5*3-4H,2H2,1H3,(H,6,7);;;;;/q;;;;;5*+1/p-5/b5*4-3+;;;;;.
What are the key properties of pentasodium;pentakis((E)-pent-2-enoate)?
pentasodium;pentakis((E)-pent-2-enoate) has a molecular weight of 610.50 g/mol, XLogP of -16.47, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentasodium;pentakis((E)-pent-2-enoate) is sourced from PubChem (CID 91885279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).