sodium;sulfuric acid;sulfate

H2NaO8S2- — CID 19758473

IUPACsodium;sulfuric acid;sulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])[O-].[Na+]
InChIInChI=1S/Na.2H2O4S/c;2*1-5(2,3)4/h;2*(H2,1,2,3,4)/q+1;;/p-2
InChIKeyLNDCCSBWZAQAAW-UHFFFAOYSA-L
MW217.13 g/mol
LogP-4.99
Rot. Bonds

About sodium;sulfuric acid;sulfate

sodium;sulfuric acid;sulfate (PubChem CID 19758473) has the molecular formula H2NaO8S2- and a molecular weight of 217.13 g/mol. Its IUPAC name is sodium;sulfuric acid;sulfate.

Molecular Properties

Compound Namesodium;sulfuric acid;sulfate
PubChem CID19758473
Molecular FormulaH2NaO8S2-
Molecular Weight217.13 g/mol
Exact Mass216.91
IUPAC Namesodium;sulfuric acid;sulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])[O-].[Na+]
InChIInChI=1S/Na.2H2O4S/c;2*1-5(2,3)4/h;2*(H2,1,2,3,4)/q+1;;/p-2
InChIKeyLNDCCSBWZAQAAW-UHFFFAOYSA-L
XLogP-4.99
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.13
LogP ≤ 5-4.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 sodium;sulfuric acid;sulfate?
The IUPAC name of sodium;sulfuric acid;sulfate (CID 19758473) is sodium;sulfuric acid;sulfate.
What is the SMILES notation for sodium;sulfuric acid;sulfate?
The canonical SMILES for sodium;sulfuric acid;sulfate is O=S(=O)(O)O.O=S(=O)([O-])[O-].[Na+].
What is the InChIKey of sodium;sulfuric acid;sulfate?
The InChIKey is LNDCCSBWZAQAAW-UHFFFAOYSA-L. The full InChI is InChI=1S/Na.2H2O4S/c;2*1-5(2,3)4/h;2*(H2,1,2,3,4)/q+1;;/p-2.
What are the key properties of sodium;sulfuric acid;sulfate?
sodium;sulfuric acid;sulfate has a molecular weight of 217.13 g/mol, XLogP of -4.99, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;sulfuric acid;sulfate is sourced from PubChem (CID 19758473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).