sodium;dodecyl hydrogen sulfate;tetradecyl sulfate

C26H55NaO8S2 — CID 88620234

IUPACsodium;dodecyl hydrogen sulfate;tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)O.[Na+]
InChIInChI=1S/C14H30O4S.C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-14H2,1H3,(H,15,16,17);2-12H2,1H3,(H,13,14,15);/q;;+1/p-1
InChIKeyXZMJXMXUHQPLPN-UHFFFAOYSA-M
MW582.84 g/mol
LogP4.89
Rot. Bonds26

About sodium;dodecyl hydrogen sulfate;tetradecyl sulfate

sodium;dodecyl hydrogen sulfate;tetradecyl sulfate (PubChem CID 88620234) has the molecular formula C26H55NaO8S2 and a molecular weight of 582.84 g/mol. Its IUPAC name is sodium;dodecyl hydrogen sulfate;tetradecyl sulfate.

Molecular Properties

Compound Namesodium;dodecyl hydrogen sulfate;tetradecyl sulfate
PubChem CID88620234
Molecular FormulaC26H55NaO8S2
Molecular Weight582.84 g/mol
Exact Mass582.32
IUPAC Namesodium;dodecyl hydrogen sulfate;tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)O.[Na+]
InChIInChI=1S/C14H30O4S.C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-14H2,1H3,(H,15,16,17);2-12H2,1H3,(H,13,14,15);/q;;+1/p-1
InChIKeyXZMJXMXUHQPLPN-UHFFFAOYSA-M
XLogP4.89
TPSA130.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.84
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze sodium;dodecyl hydrogen sulfate;tetradecyl sulfate 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

disodium;dodecyl hydrogen sulfate;dodecyl sulfate
CID 173417814
sodium;azane;dodecyl hydrogen sulfate;dodecyl sulfate
CID 173283173
sodium;azane;dodecyl sulfate;octyl hydrogen sulfate
CID 173222911
sodium;sulfuric acid;tetradecyl sulfate
CID 87772875
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
disodium bis(hexadecyl sulfate)
CID 10394875
sodium tetradecyl sulfate
CID 23665770
sodium pentadecyl sulfate
CID 23700089
aluminum;sodium;dodecyl sulfate
CID 160751560
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl hydrogen sulfate;tetradecyl sulfate?
The IUPAC name of sodium;dodecyl hydrogen sulfate;tetradecyl sulfate (CID 88620234) is sodium;dodecyl hydrogen sulfate;tetradecyl sulfate.
What is the SMILES notation for sodium;dodecyl hydrogen sulfate;tetradecyl sulfate?
The canonical SMILES for sodium;dodecyl hydrogen sulfate;tetradecyl sulfate is CCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)O.[Na+].
What is the InChIKey of sodium;dodecyl hydrogen sulfate;tetradecyl sulfate?
The InChIKey is XZMJXMXUHQPLPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30O4S.C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-14H2,1H3,(H,15,16,17);2-12H2,1H3,(H,13,14,15);/q;;+1/p-1.
What are the key properties of sodium;dodecyl hydrogen sulfate;tetradecyl sulfate?
sodium;dodecyl hydrogen sulfate;tetradecyl sulfate has a molecular weight of 582.84 g/mol, XLogP of 4.89, 26 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl hydrogen sulfate;tetradecyl sulfate is sourced from PubChem (CID 88620234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).