About icosamagnesium;hydride;pentacosahydrate
icosamagnesium;hydride;pentacosahydrate (PubChem CID 173165190) has the molecular formula H90Mg20O25
and a molecular weight of 976.80 g/mol. Its IUPAC name is icosamagnesium;hydride;pentacosahydrate.
Molecular Properties
| Compound Name | icosamagnesium;hydride;pentacosahydrate |
|---|
| PubChem CID | 173165190 |
|---|
| Molecular Formula | H90Mg20O25 |
|---|
| Molecular Weight | 976.80 g/mol |
|---|
| Exact Mass | 970.28 |
|---|
| IUPAC Name | icosamagnesium;hydride;pentacosahydrate |
|---|
| SMILES | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2] |
|---|
| InChI | InChI=1S/20Mg.25H2O.40H/h;;;;;;;;;;;;;;;;;;;;25*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q20*+2;;;;;;;;;;;;;;;;;;;;;;;;;;40*-1 |
|---|
| InChIKey | VHBAQNCZRWREFG-UHFFFAOYSA-N |
|---|
| XLogP | -23.73 |
|---|
| TPSA | 787.50 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 45 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 976.80 |
| LogP ≤ 5 | -23.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of icosamagnesium;hydride;pentacosahydrate?
The IUPAC name of icosamagnesium;hydride;pentacosahydrate (CID 173165190) is icosamagnesium;hydride;pentacosahydrate.
What is the SMILES notation for icosamagnesium;hydride;pentacosahydrate?
The canonical SMILES for icosamagnesium;hydride;pentacosahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of icosamagnesium;hydride;pentacosahydrate?
The InChIKey is VHBAQNCZRWREFG-UHFFFAOYSA-N. The full InChI is InChI=1S/20Mg.25H2O.40H/h;;;;;;;;;;;;;;;;;;;;25*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q20*+2;;;;;;;;;;;;;;;;;;;;;;;;;;40*-1.
What are the key properties of icosamagnesium;hydride;pentacosahydrate?
icosamagnesium;hydride;pentacosahydrate has a molecular weight of 976.80 g/mol, XLogP of -23.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosamagnesium;hydride;pentacosahydrate is sourced from PubChem (CID 173165190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).