sodium;sulfooxy hydrogen sulfate;hydroxide

H3NaO9S2 — CID 159457891

IUPACsodium;sulfooxy hydrogen sulfate;hydroxide
SMILESO=S(=O)(O)OOS(=O)(=O)O.[Na+].[OH-]
InChIInChI=1S/Na.H2O8S2.H2O/c;1-9(2,3)7-8-10(4,5)6;/h;(H,1,2,3)(H,4,5,6);1H2/q+1;;/p-1
InChIKeyLUFFPDAOLMCNFF-UHFFFAOYSA-M
MW234.14 g/mol
LogP-4.63
Rot. Bonds3

About sodium;sulfooxy hydrogen sulfate;hydroxide

sodium;sulfooxy hydrogen sulfate;hydroxide (PubChem CID 159457891) has the molecular formula H3NaO9S2 and a molecular weight of 234.14 g/mol. Its IUPAC name is sodium;sulfooxy hydrogen sulfate;hydroxide.

Molecular Properties

Compound Namesodium;sulfooxy hydrogen sulfate;hydroxide
PubChem CID159457891
Molecular FormulaH3NaO9S2
Molecular Weight234.14 g/mol
Exact Mass233.91
IUPAC Namesodium;sulfooxy hydrogen sulfate;hydroxide
SMILESO=S(=O)(O)OOS(=O)(=O)O.[Na+].[OH-]
InChIInChI=1S/Na.H2O8S2.H2O/c;1-9(2,3)7-8-10(4,5)6;/h;(H,1,2,3)(H,4,5,6);1H2/q+1;;/p-1
InChIKeyLUFFPDAOLMCNFF-UHFFFAOYSA-M
XLogP-4.63
TPSA157.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 5-4.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze sodium;sulfooxy hydrogen sulfate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sulfooxy hydrogen sulfate
CID 24413
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate
CID 173280994
potassium;hydride;sulfooxy hydrogen sulfate
CID 175284935
azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
hydrogen sulfate;iron(3+);sulfooxy hydrogen sulfate
CID 19609642
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
CID 175199933
CID 175199933
azane;sulfooxy hydrogen sulfate;thiourea
CID 175196576
peroxyformic acid;sulfooxy hydrogen sulfate
CID 174430614
acetonitrile;azane;sulfooxy hydrogen sulfate
CID 174690756
azane;2-sulfanylacetic acid;sulfooxy hydrogen sulfate
CID 174592442

Frequently Asked Questions

What is the IUPAC name of sodium;sulfooxy hydrogen sulfate;hydroxide?
The IUPAC name of sodium;sulfooxy hydrogen sulfate;hydroxide (CID 159457891) is sodium;sulfooxy hydrogen sulfate;hydroxide.
What is the SMILES notation for sodium;sulfooxy hydrogen sulfate;hydroxide?
The canonical SMILES for sodium;sulfooxy hydrogen sulfate;hydroxide is O=S(=O)(O)OOS(=O)(=O)O.[Na+].[OH-].
What is the InChIKey of sodium;sulfooxy hydrogen sulfate;hydroxide?
The InChIKey is LUFFPDAOLMCNFF-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H2O8S2.H2O/c;1-9(2,3)7-8-10(4,5)6;/h;(H,1,2,3)(H,4,5,6);1H2/q+1;;/p-1.
What are the key properties of sodium;sulfooxy hydrogen sulfate;hydroxide?
sodium;sulfooxy hydrogen sulfate;hydroxide has a molecular weight of 234.14 g/mol, XLogP of -4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;sulfooxy hydrogen sulfate;hydroxide is sourced from PubChem (CID 159457891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).