disodium;sulfonatooxy sulfate;sulfurous acid

H2Na2O11S3 — CID 22019774

IUPACdisodium;sulfonatooxy sulfate;sulfurous acid
SMILESO=S(=O)([O-])OOS(=O)(=O)[O-].O=S(O)O.[Na+].[Na+]
InChIInChI=1S/2Na.H2O8S2.H2O3S/c;;1-9(2,3)7-8-10(4,5)6;1-4(2)3/h;;(H,1,2,3)(H,4,5,6);(H2,1,2,3)/q2*+1;;/p-2
InChIKeyVVBLWONFBABJSJ-UHFFFAOYSA-L
MW320.19 g/mol
LogP-8.46
Rot. Bonds3

About disodium;sulfonatooxy sulfate;sulfurous acid

disodium;sulfonatooxy sulfate;sulfurous acid (PubChem CID 22019774) has the molecular formula H2Na2O11S3 and a molecular weight of 320.19 g/mol. Its IUPAC name is disodium;sulfonatooxy sulfate;sulfurous acid.

Molecular Properties

Compound Namedisodium;sulfonatooxy sulfate;sulfurous acid
PubChem CID22019774
Molecular FormulaH2Na2O11S3
Molecular Weight320.19 g/mol
Exact Mass319.86
IUPAC Namedisodium;sulfonatooxy sulfate;sulfurous acid
SMILESO=S(=O)([O-])OOS(=O)(=O)[O-].O=S(O)O.[Na+].[Na+]
InChIInChI=1S/2Na.H2O8S2.H2O3S/c;;1-9(2,3)7-8-10(4,5)6;1-4(2)3/h;;(H,1,2,3)(H,4,5,6);(H2,1,2,3)/q2*+1;;/p-2
InChIKeyVVBLWONFBABJSJ-UHFFFAOYSA-L
XLogP-8.46
TPSA190.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 5-8.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

iron(2+);sulfonatooxy sulfate;sulfuric acid;sulfurous acid
CID 173385794
trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate
CID 173499808
disodium;azane;sulfonatooxy sulfate
CID 174725660
strontium sulfonatooxy sulfate
CID 21114005
dicalcium sulfonatooxy sulfate
CID 159780487
dipotassium;sulfonatooxy sulfate
CID 516926
lithium;potassium;sulfonatooxy sulfate
CID 175555490
bis(rubidium(1+));sulfonatooxy sulfate
CID 18406061
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
potassium;sodium;permanganic acid;sulfonatooxy sulfate
CID 175104604
calcium;sulfurous acid;sulfate
CID 157188643
calcium;sulfurous acid;sulfate;hydrate
CID 157259781

Frequently Asked Questions

What is the IUPAC name of disodium;sulfonatooxy sulfate;sulfurous acid?
The IUPAC name of disodium;sulfonatooxy sulfate;sulfurous acid (CID 22019774) is disodium;sulfonatooxy sulfate;sulfurous acid.
What is the SMILES notation for disodium;sulfonatooxy sulfate;sulfurous acid?
The canonical SMILES for disodium;sulfonatooxy sulfate;sulfurous acid is O=S(=O)([O-])OOS(=O)(=O)[O-].O=S(O)O.[Na+].[Na+].
What is the InChIKey of disodium;sulfonatooxy sulfate;sulfurous acid?
The InChIKey is VVBLWONFBABJSJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.H2O8S2.H2O3S/c;;1-9(2,3)7-8-10(4,5)6;1-4(2)3/h;;(H,1,2,3)(H,4,5,6);(H2,1,2,3)/q2*+1;;/p-2.
What are the key properties of disodium;sulfonatooxy sulfate;sulfurous acid?
disodium;sulfonatooxy sulfate;sulfurous acid has a molecular weight of 320.19 g/mol, XLogP of -8.46, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;sulfonatooxy sulfate;sulfurous acid is sourced from PubChem (CID 22019774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).