sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid

C18H39NaO4S — CID 173433926

IUPACsodium;hydride;2-hydroxyoctadecane-1-sulfonic acid
SMILESCCCCCCCCCCCCCCCCC(O)CS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C18H38O4S.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-23(20,21)22;;/h18-19H,2-17H2,1H3,(H,20,21,22);;/q;+1;-1
InChIKeyPTPZVSNKSJMZHO-UHFFFAOYSA-N
MW374.56 g/mol
LogP2.22
Rot. Bonds17

About sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid

sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid (PubChem CID 173433926) has the molecular formula C18H39NaO4S and a molecular weight of 374.56 g/mol. Its IUPAC name is sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;2-hydroxyoctadecane-1-sulfonic acid
PubChem CID173433926
Molecular FormulaC18H39NaO4S
Molecular Weight374.56 g/mol
Exact Mass374.25
IUPAC Namesodium;hydride;2-hydroxyoctadecane-1-sulfonic acid
SMILESCCCCCCCCCCCCCCCCC(O)CS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C18H38O4S.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-23(20,21)22;;/h18-19H,2-17H2,1H3,(H,20,21,22);;/q;+1;-1
InChIKeyPTPZVSNKSJMZHO-UHFFFAOYSA-N
XLogP2.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.56
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methylpentadecane-1-sulfonic acid
CID 121405460
2-decyldodecane-1-sulfonic acid
CID 152683852
magnesium bis(2-hydroxyoctadecane-1-sulfonate)
CID 122611149
1-aminotetradecan-2-ol;sulfuric acid
CID 158919972
sodium;hydride;2-methoxypentadecane-1-sulfonic acid
CID 173458988
6-chloro-2-hydroxyhexane-1-sulfonic acid
CID 166059321
sodium 1-hydroxydecane-1-sulfonic acid
CID 23131177
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid?
The IUPAC name of sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid (CID 173433926) is sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid?
The canonical SMILES for sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid is CCCCCCCCCCCCCCCCC(O)CS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid?
The InChIKey is PTPZVSNKSJMZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4S.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-23(20,21)22;;/h18-19H,2-17H2,1H3,(H,20,21,22);;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid?
sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid has a molecular weight of 374.56 g/mol, XLogP of 2.22, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid is sourced from PubChem (CID 173433926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).