About dopentacontalithium;boric acid;hydride
dopentacontalithium;boric acid;hydride (PubChem CID 173414806) has the molecular formula H73B7Li52O21
and a molecular weight of 846.18 g/mol. Its IUPAC name is dopentacontalithium;boric acid;hydride.
Molecular Properties
| Compound Name | dopentacontalithium;boric acid;hydride |
|---|
| PubChem CID | 173414806 |
|---|
| Molecular Formula | H73B7Li52O21 |
|---|
| Molecular Weight | 846.18 g/mol |
|---|
| Exact Mass | 851.36 |
|---|
| IUPAC Name | dopentacontalithium;boric acid;hydride |
|---|
| SMILES | OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(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-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+] |
|---|
| InChI | InChI=1S/7BH3O3.52Li.52H/c7*2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h7*2-4H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;52*+1;52*-1 |
|---|
| InChIKey | WPQHJGSENZOHDP-UHFFFAOYSA-N |
|---|
| XLogP | -164.30 |
|---|
| TPSA | 424.83 Ų |
|---|
| H-Bond Donors | 21 |
|---|
| H-Bond Acceptors | 21 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 80 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 846.18 |
| LogP ≤ 5 | -164.30 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 21 |
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Frequently Asked Questions
What is the IUPAC name of dopentacontalithium;boric acid;hydride?
The IUPAC name of dopentacontalithium;boric acid;hydride (CID 173414806) is dopentacontalithium;boric acid;hydride.
What is the SMILES notation for dopentacontalithium;boric acid;hydride?
The canonical SMILES for dopentacontalithium;boric acid;hydride is OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(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-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].
What is the InChIKey of dopentacontalithium;boric acid;hydride?
The InChIKey is WPQHJGSENZOHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/7BH3O3.52Li.52H/c7*2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h7*2-4H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;52*+1;52*-1.
What are the key properties of dopentacontalithium;boric acid;hydride?
dopentacontalithium;boric acid;hydride has a molecular weight of 846.18 g/mol, XLogP of -164.30, 0 rotatable bonds, 21 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for dopentacontalithium;boric acid;hydride is sourced from PubChem (CID 173414806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).