disodium;hydrogen sulfate;hydroxide;hydrochloride

H3ClNa2O5S — CID 158787681

IUPACdisodium;hydrogen sulfate;hydroxide;hydrochloride
SMILESCl.O=S(=O)([O-])O.[Na+].[Na+].[OH-]
InChIInChI=1S/ClH.2Na.H2O4S.H2O/c;;;1-5(2,3)4;/h1H;;;(H2,1,2,3,4);1H2/q;2*+1;;/p-2
InChIKeyIRWTZAIAVBBZPM-UHFFFAOYSA-L
MW196.52 g/mol
LogP-6.74
Rot. Bonds

About disodium;hydrogen sulfate;hydroxide;hydrochloride

disodium;hydrogen sulfate;hydroxide;hydrochloride (PubChem CID 158787681) has the molecular formula H3ClNa2O5S and a molecular weight of 196.52 g/mol. Its IUPAC name is disodium;hydrogen sulfate;hydroxide;hydrochloride.

Molecular Properties

Compound Namedisodium;hydrogen sulfate;hydroxide;hydrochloride
PubChem CID158787681
Molecular FormulaH3ClNa2O5S
Molecular Weight196.52 g/mol
Exact Mass195.92
IUPAC Namedisodium;hydrogen sulfate;hydroxide;hydrochloride
SMILESCl.O=S(=O)([O-])O.[Na+].[Na+].[OH-]
InChIInChI=1S/ClH.2Na.H2O4S.H2O/c;;;1-5(2,3)4;/h1H;;;(H2,1,2,3,4);1H2/q;2*+1;;/p-2
InChIKeyIRWTZAIAVBBZPM-UHFFFAOYSA-L
XLogP-6.74
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.52
LogP ≤ 5-6.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of disodium;hydrogen sulfate;hydroxide;hydrochloride?
The IUPAC name of disodium;hydrogen sulfate;hydroxide;hydrochloride (CID 158787681) is disodium;hydrogen sulfate;hydroxide;hydrochloride.
What is the SMILES notation for disodium;hydrogen sulfate;hydroxide;hydrochloride?
The canonical SMILES for disodium;hydrogen sulfate;hydroxide;hydrochloride is Cl.O=S(=O)([O-])O.[Na+].[Na+].[OH-].
What is the InChIKey of disodium;hydrogen sulfate;hydroxide;hydrochloride?
The InChIKey is IRWTZAIAVBBZPM-UHFFFAOYSA-L. The full InChI is InChI=1S/ClH.2Na.H2O4S.H2O/c;;;1-5(2,3)4;/h1H;;;(H2,1,2,3,4);1H2/q;2*+1;;/p-2.
What are the key properties of disodium;hydrogen sulfate;hydroxide;hydrochloride?
disodium;hydrogen sulfate;hydroxide;hydrochloride has a molecular weight of 196.52 g/mol, XLogP of -6.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydrogen sulfate;hydroxide;hydrochloride is sourced from PubChem (CID 158787681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).