sodium;didodecyl sulfate;hydride;sulfuric acid

C24H53NaO8S2 — CID 174107474

IUPACsodium;didodecyl sulfate;hydride;sulfuric acid
SMILESCCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C24H50O4S.Na.H2O4S.H/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-24H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyGTVORASGIZFJGA-UHFFFAOYSA-N
MW556.80 g/mol
LogP4.57
Rot. Bonds24

About sodium;didodecyl sulfate;hydride;sulfuric acid

sodium;didodecyl sulfate;hydride;sulfuric acid (PubChem CID 174107474) has the molecular formula C24H53NaO8S2 and a molecular weight of 556.80 g/mol. Its IUPAC name is sodium;didodecyl sulfate;hydride;sulfuric acid.

Molecular Properties

Compound Namesodium;didodecyl sulfate;hydride;sulfuric acid
PubChem CID174107474
Molecular FormulaC24H53NaO8S2
Molecular Weight556.80 g/mol
Exact Mass556.31
IUPAC Namesodium;didodecyl sulfate;hydride;sulfuric acid
SMILESCCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C24H50O4S.Na.H2O4S.H/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-24H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyGTVORASGIZFJGA-UHFFFAOYSA-N
XLogP4.57
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.80
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze sodium;didodecyl sulfate;hydride;sulfuric acid 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

sodium dihexadecyl sulfate
CID 23616668
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
azanium didodecyl sulfate
CID 23617704
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
sodium;butanedioic acid;dioctyl sulfate;hydride
CID 174809362
sodium;dodecyl 2,2,2-trihydroxyethyl sulfate;hydride
CID 173442591
dodecyl 12-hydroxydodecyl sulfate
CID 54032685
sodium;hydride;sulfuric acid;1-tetradecoxytetradecane
CID 173005905
ethyl octyl sulfate
CID 22483719

Frequently Asked Questions

What is the IUPAC name of sodium;didodecyl sulfate;hydride;sulfuric acid?
The IUPAC name of sodium;didodecyl sulfate;hydride;sulfuric acid (CID 174107474) is sodium;didodecyl sulfate;hydride;sulfuric acid.
What is the SMILES notation for sodium;didodecyl sulfate;hydride;sulfuric acid?
The canonical SMILES for sodium;didodecyl sulfate;hydride;sulfuric acid is CCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;didodecyl sulfate;hydride;sulfuric acid?
The InChIKey is GTVORASGIZFJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O4S.Na.H2O4S.H/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-24H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;didodecyl sulfate;hydride;sulfuric acid?
sodium;didodecyl sulfate;hydride;sulfuric acid has a molecular weight of 556.80 g/mol, XLogP of 4.57, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;didodecyl sulfate;hydride;sulfuric acid is sourced from PubChem (CID 174107474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).