About doheptacontasodium dihydrochloride
doheptacontasodium dihydrochloride (PubChem CID 173454982) has the molecular formula H2Cl2Na72+72
and a molecular weight of 1728.20 g/mol. Its IUPAC name is doheptacontasodium dihydrochloride.
Molecular Properties
| Compound Name | doheptacontasodium dihydrochloride |
|---|
| PubChem CID | 173454982 |
|---|
| Molecular Formula | H2Cl2Na72+72 |
|---|
| Molecular Weight | 1728.20 g/mol |
|---|
| Exact Mass | 1727.18 |
|---|
| IUPAC Name | doheptacontasodium dihydrochloride |
|---|
| SMILES | Cl.Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
|---|
| InChI | InChI=1S/2ClH.72Na/h2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;72*+1 |
|---|
| InChIKey | DLHVCCCGDUUCLD-UHFFFAOYSA-N |
|---|
| XLogP | -214.87 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 74 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 1728.20 |
| LogP ≤ 5 | -214.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Analyze doheptacontasodium dihydrochloride with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of doheptacontasodium dihydrochloride?
The IUPAC name of doheptacontasodium dihydrochloride (CID 173454982) is doheptacontasodium dihydrochloride.
What is the SMILES notation for doheptacontasodium dihydrochloride?
The canonical SMILES for doheptacontasodium dihydrochloride is Cl.Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of doheptacontasodium dihydrochloride?
The InChIKey is DLHVCCCGDUUCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2ClH.72Na/h2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;72*+1.
What are the key properties of doheptacontasodium dihydrochloride?
doheptacontasodium dihydrochloride has a molecular weight of 1728.20 g/mol, XLogP of -214.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for doheptacontasodium dihydrochloride is sourced from PubChem (CID 173454982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).