About chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate
chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate (PubChem CID 139186227) has the molecular formula C8H43CrMo6N2O30-33
and a molecular weight of 1275.05 g/mol. Its IUPAC name is chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate.
Molecular Properties
| Compound Name | chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate |
|---|
| PubChem CID | 139186227 |
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| Molecular Formula | C8H43CrMo6N2O30-33 |
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| Molecular Weight | 1275.05 g/mol |
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| Exact Mass | 1286.58 |
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| IUPAC Name | chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate |
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| SMILES | C[N+](C)(C)C.C[N+](C)(C)C.O.O.O.O.O.O.[Cr+6].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-] |
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| InChI | InChI=1S/2C4H12N.Cr.6Mo.13H2O.17O/c2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-4H3;;;;;;;;13*1H2;;;;;;;;;;;;;;;;;/q2*+1;+6;;;;;;;;;;;;;;;;;;;;17*-2/p-7 |
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| InChIKey | ZLUQGRJHBOAZBN-UHFFFAOYSA-G |
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| XLogP | -7.58 |
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| TPSA | 883.50 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | |
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| Heavy Atoms | 47 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 1275.05 |
| LogP ≤ 5 | -7.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate?
The IUPAC name of chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate (CID 139186227) is chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate.
What is the SMILES notation for chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate?
The canonical SMILES for chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate is C[N+](C)(C)C.C[N+](C)(C)C.O.O.O.O.O.O.[Cr+6].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate?
The InChIKey is ZLUQGRJHBOAZBN-UHFFFAOYSA-G. The full InChI is InChI=1S/2C4H12N.Cr.6Mo.13H2O.17O/c2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-4H3;;;;;;;;13*1H2;;;;;;;;;;;;;;;;;/q2*+1;+6;;;;;;;;;;;;;;;;;;;;17*-2/p-7.
What are the key properties of chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate?
chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate has a molecular weight of 1275.05 g/mol, XLogP of -7.58, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(6+);molybdenum;heptadecakis(oxygen(2-));bis(tetramethylazanium);heptahydroxide;hexahydrate is sourced from PubChem (CID 139186227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).