CID 174862856

H4Na2O11S4 — CID 174862856

IUPAC—
SMILESO=S(=O)(O)S(=O)(=O)OS(=O)(=O)S(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/2Na.H2O11S4.2H/c;;1-12(2,3)14(7,8)11-15(9,10)13(4,5)6;;/h;;(H,1,2,3)(H,4,5,6);;/q2*+1;;2*-1
InChIKeyMVDKQQYCDXZAPI-UHFFFAOYSA-N
MW354.27 g/mol
LogP-8.50
Rot. Bonds4

About CID 174862856

CID 174862856 (PubChem CID 174862856) has the molecular formula H4Na2O11S4 and a molecular weight of 354.27 g/mol.

Molecular Properties

Compound NameCID 174862856
PubChem CID174862856
Molecular FormulaH4Na2O11S4
Molecular Weight354.27 g/mol
Exact Mass353.84
IUPAC Name—
SMILESO=S(=O)(O)S(=O)(=O)OS(=O)(=O)S(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/2Na.H2O11S4.2H/c;;1-12(2,3)14(7,8)11-15(9,10)13(4,5)6;;/h;;(H,1,2,3)(H,4,5,6);;/q2*+1;;2*-1
InChIKeyMVDKQQYCDXZAPI-UHFFFAOYSA-N
XLogP-8.50
TPSA186.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 5-8.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174862856?
The IUPAC name of CID 174862856 (CID 174862856) is not available.
What is the SMILES notation for CID 174862856?
The canonical SMILES for CID 174862856 is O=S(=O)(O)S(=O)(=O)OS(=O)(=O)S(=O)(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of CID 174862856?
The InChIKey is MVDKQQYCDXZAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2Na.H2O11S4.2H/c;;1-12(2,3)14(7,8)11-15(9,10)13(4,5)6;;/h;;(H,1,2,3)(H,4,5,6);;/q2*+1;;2*-1.
What are the key properties of CID 174862856?
CID 174862856 has a molecular weight of 354.27 g/mol, XLogP of -8.50, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174862856 is sourced from PubChem (CID 174862856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).