About pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate
pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate (PubChem CID 6455080) has the molecular formula H5O30P5V6-30
and a molecular weight of 945.54 g/mol. Its IUPAC name is pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate.
Molecular Properties
| Compound Name | pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate |
|---|
| PubChem CID | 6455080 |
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| Molecular Formula | H5O30P5V6-30 |
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| Molecular Weight | 945.54 g/mol |
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| Exact Mass | 945.44 |
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| IUPAC Name | pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate |
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| SMILES | O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[V].[V].[V].[V].[V].[V] |
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| InChI | InChI=1S/5H3O4P.5H2O.5O.6V/c5*1-5(2,3)4;;;;;;;;;;;;;;;;/h5*(H3,1,2,3,4);5*1H2;;;;;;;;;;;/q;;;;;;;;;;5*-2;;;;;;/p-20 |
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| InChIKey | DZHUTCDIQDURCC-UHFFFAOYSA-A |
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| XLogP | -15.62 |
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| TPSA | 723.75 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 25 |
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| Rotatable Bonds | |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 945.54 |
| LogP ≤ 5 | -15.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate?
The IUPAC name of pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate (CID 6455080) is pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate.
What is the SMILES notation for pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate?
The canonical SMILES for pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[V].[V].[V].[V].[V].[V].
What is the InChIKey of pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate?
The InChIKey is DZHUTCDIQDURCC-UHFFFAOYSA-A. The full InChI is InChI=1S/5H3O4P.5H2O.5O.6V/c5*1-5(2,3)4;;;;;;;;;;;;;;;;/h5*(H3,1,2,3,4);5*1H2;;;;;;;;;;;/q;;;;;;;;;;5*-2;;;;;;/p-20.
What are the key properties of pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate?
pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate has a molecular weight of 945.54 g/mol, XLogP of -15.62, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate is sourced from PubChem (CID 6455080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).