sodium;sulfuric acid;tetracosane

C24H51NaO4S — CID 158263057

IUPACsodium;sulfuric acid;tetracosane
SMILESCCCCCCCCCCC[CH-]CCCCCCCCCCCC.O=S(=O)(O)O.[Na+]
InChIInChI=1S/C24H49.Na.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h23H,3-22,24H2,1-2H3;;(H2,1,2,3,4)/q-1;+1;
InChIKeyFJAKZRBMDRZRMR-UHFFFAOYSA-N
MW458.73 g/mol
LogP5.77
Rot. Bonds21

About sodium;sulfuric acid;tetracosane

sodium;sulfuric acid;tetracosane (PubChem CID 158263057) has the molecular formula C24H51NaO4S and a molecular weight of 458.73 g/mol. Its IUPAC name is sodium;sulfuric acid;tetracosane.

Molecular Properties

Compound Namesodium;sulfuric acid;tetracosane
PubChem CID158263057
Molecular FormulaC24H51NaO4S
Molecular Weight458.73 g/mol
Exact Mass458.34
IUPAC Namesodium;sulfuric acid;tetracosane
SMILESCCCCCCCCCCC[CH-]CCCCCCCCCCCC.O=S(=O)(O)O.[Na+]
InChIInChI=1S/C24H49.Na.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h23H,3-22,24H2,1-2H3;;(H2,1,2,3,4)/q-1;+1;
InChIKeyFJAKZRBMDRZRMR-UHFFFAOYSA-N
XLogP5.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.73
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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 sodium;sulfuric acid;tetracosane?
The IUPAC name of sodium;sulfuric acid;tetracosane (CID 158263057) is sodium;sulfuric acid;tetracosane.
What is the SMILES notation for sodium;sulfuric acid;tetracosane?
The canonical SMILES for sodium;sulfuric acid;tetracosane is CCCCCCCCCCC[CH-]CCCCCCCCCCCC.O=S(=O)(O)O.[Na+].
What is the InChIKey of sodium;sulfuric acid;tetracosane?
The InChIKey is FJAKZRBMDRZRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49.Na.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h23H,3-22,24H2,1-2H3;;(H2,1,2,3,4)/q-1;+1;.
What are the key properties of sodium;sulfuric acid;tetracosane?
sodium;sulfuric acid;tetracosane has a molecular weight of 458.73 g/mol, XLogP of 5.77, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;sulfuric acid;tetracosane is sourced from PubChem (CID 158263057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).