About decaaluminum;phosphoric acid;decaphosphate
decaaluminum;phosphoric acid;decaphosphate (PubChem CID 173424288) has the molecular formula H120Al10O200P50
and a molecular weight of 5139.28 g/mol. Its IUPAC name is decaaluminum;phosphoric acid;decaphosphate.
Molecular Properties
| Compound Name | decaaluminum;phosphoric acid;decaphosphate |
|---|
| PubChem CID | 173424288 |
|---|
| Molecular Formula | H120Al10O200P50 |
|---|
| Molecular Weight | 5139.28 g/mol |
|---|
| Exact Mass | 5138.43 |
|---|
| IUPAC Name | decaaluminum;phosphoric acid;decaphosphate |
|---|
| 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=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=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=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=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=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=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=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=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=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3] |
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| InChI | InChI=1S/10Al.50H3O4P/c;;;;;;;;;;50*1-5(2,3)4/h;;;;;;;;;;50*(H3,1,2,3,4)/q10*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-30 |
|---|
| InChIKey | ZZWWTSBKXOJPCL-UHFFFAOYSA-A |
|---|
| XLogP | -69.20 |
|---|
| TPSA | 3972.90 Ų |
|---|
| H-Bond Donors | 120 |
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| H-Bond Acceptors | 80 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 260 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 5139.28 |
| LogP ≤ 5 | -69.20 |
| H-Bond Donors ≤ 5 | 120 |
| H-Bond Acceptors ≤ 10 | 80 |
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Frequently Asked Questions
What is the IUPAC name of decaaluminum;phosphoric acid;decaphosphate?
The IUPAC name of decaaluminum;phosphoric acid;decaphosphate (CID 173424288) is decaaluminum;phosphoric acid;decaphosphate.
What is the SMILES notation for decaaluminum;phosphoric acid;decaphosphate?
The canonical SMILES for decaaluminum;phosphoric acid;decaphosphate 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=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=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=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=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=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=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=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=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=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].
What is the InChIKey of decaaluminum;phosphoric acid;decaphosphate?
The InChIKey is ZZWWTSBKXOJPCL-UHFFFAOYSA-A. The full InChI is InChI=1S/10Al.50H3O4P/c;;;;;;;;;;50*1-5(2,3)4/h;;;;;;;;;;50*(H3,1,2,3,4)/q10*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-30.
What are the key properties of decaaluminum;phosphoric acid;decaphosphate?
decaaluminum;phosphoric acid;decaphosphate has a molecular weight of 5139.28 g/mol, XLogP of -69.20, 0 rotatable bonds, 120 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for decaaluminum;phosphoric acid;decaphosphate is sourced from PubChem (CID 173424288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).