sodium sulfooxysulfonyl sulfate

HNaO10S3 — CID 175371917

IUPACsodium sulfooxysulfonyl sulfate
SMILESO=S(=O)([O-])OS(=O)(=O)OS(=O)(=O)O.[Na+]
InChIInChI=1S/Na.H2O10S3/c;1-11(2,3)9-13(7,8)10-12(4,5)6/h;(H,1,2,3)(H,4,5,6)/q+1;/p-1
InChIKeyOHHKTQPMDBNYKT-UHFFFAOYSA-M
MW280.19 g/mol
LogP-5.47
Rot. Bonds4

About sodium sulfooxysulfonyl sulfate

sodium sulfooxysulfonyl sulfate (PubChem CID 175371917) has the molecular formula HNaO10S3 and a molecular weight of 280.19 g/mol. Its IUPAC name is sodium sulfooxysulfonyl sulfate.

Molecular Properties

Compound Namesodium sulfooxysulfonyl sulfate
PubChem CID175371917
Molecular FormulaHNaO10S3
Molecular Weight280.19 g/mol
Exact Mass279.86
IUPAC Namesodium sulfooxysulfonyl sulfate
SMILESO=S(=O)([O-])OS(=O)(=O)OS(=O)(=O)O.[Na+]
InChIInChI=1S/Na.H2O10S3/c;1-11(2,3)9-13(7,8)10-12(4,5)6/h;(H,1,2,3)(H,4,5,6)/q+1;/p-1
InChIKeyOHHKTQPMDBNYKT-UHFFFAOYSA-M
XLogP-5.47
TPSA164.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 5-5.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

potassium sulfo sulfate
CID 157130711
potassium;sulfo sulfate;sulfuric acid
CID 158562224
aluminum;sodium;sulfonato sulfate
CID 159964180
sodium;hydride;hydrogen peroxide;hydroxy sulfo sulfate
CID 173090604
platinum(4+);sulfonato sulfate
CID 57353350
CID 173332753
CID 173332753
silane;sulfo hydrogen sulfate
CID 173332743
oxido-oxo-sulfooxysulfonyloxyphosphanium
CID 154300996
sulfonato sulfate;bis(tetramethylphosphanium)
CID 174869555
sodium;sulfuric acid;sulfate
CID 19758473
CID 20581843
CID 20581843
tetrasodium;sulfuric acid;disulfate
CID 172828652

Frequently Asked Questions

What is the IUPAC name of sodium sulfooxysulfonyl sulfate?
The IUPAC name of sodium sulfooxysulfonyl sulfate (CID 175371917) is sodium sulfooxysulfonyl sulfate.
What is the SMILES notation for sodium sulfooxysulfonyl sulfate?
The canonical SMILES for sodium sulfooxysulfonyl sulfate is O=S(=O)([O-])OS(=O)(=O)OS(=O)(=O)O.[Na+].
What is the InChIKey of sodium sulfooxysulfonyl sulfate?
The InChIKey is OHHKTQPMDBNYKT-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H2O10S3/c;1-11(2,3)9-13(7,8)10-12(4,5)6/h;(H,1,2,3)(H,4,5,6)/q+1;/p-1.
What are the key properties of sodium sulfooxysulfonyl sulfate?
sodium sulfooxysulfonyl sulfate has a molecular weight of 280.19 g/mol, XLogP of -5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium sulfooxysulfonyl sulfate is sourced from PubChem (CID 175371917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).