lithium 5-hydroxypentyl sulfate

C5H11LiO5S — CID 23563916

IUPAClithium 5-hydroxypentyl sulfate
SMILESO=S(=O)([O-])OCCCCCO.[Li+]
InChIInChI=1S/C5H12O5S.Li/c6-4-2-1-3-5-10-11(7,8)9;/h6H,1-5H2,(H,7,8,9);/q;+1/p-1
InChIKeyPXXBFQXGAJMYAG-UHFFFAOYSA-M
MW190.15 g/mol
LogP-3.37
Rot. Bonds6

About lithium 5-hydroxypentyl sulfate

lithium 5-hydroxypentyl sulfate (PubChem CID 23563916) has the molecular formula C5H11LiO5S and a molecular weight of 190.15 g/mol. Its IUPAC name is lithium 5-hydroxypentyl sulfate.

Molecular Properties

Compound Namelithium 5-hydroxypentyl sulfate
PubChem CID23563916
Molecular FormulaC5H11LiO5S
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Namelithium 5-hydroxypentyl sulfate
SMILESO=S(=O)([O-])OCCCCCO.[Li+]
InChIInChI=1S/C5H12O5S.Li/c6-4-2-1-3-5-10-11(7,8)9;/h6H,1-5H2,(H,7,8,9);/q;+1/p-1
InChIKeyPXXBFQXGAJMYAG-UHFFFAOYSA-M
XLogP-3.37
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-3.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

12-hydroxydodecyl sulfate
CID 167388974
azanium;ethanol;tetradecyl sulfate
CID 158184471
azanium;ethanol;octadecyl sulfate
CID 157483069
2-hydroxyethylazanium;octadecyl sulfate
CID 6365168
bis(2-aminoethanol);tetradecyl sulfate
CID 21124184
16-hydroxyhexadecyl hydrogen sulfate
CID 57207940
hydron;2-hydroxyethyl sulfate
CID 173263896
5-hydroxypentyl methanesulfonate
CID 19894604
bis(2-hydroxyethyl)azanium;hexadecyl sulfate
CID 53447388
sodium heptacosyl sulfate
CID 155090064
sodium tetradecyl sulfate
CID 23665770
calcium nonyl sulfate
CID 101286747

Frequently Asked Questions

What is the IUPAC name of lithium 5-hydroxypentyl sulfate?
The IUPAC name of lithium 5-hydroxypentyl sulfate (CID 23563916) is lithium 5-hydroxypentyl sulfate.
What is the SMILES notation for lithium 5-hydroxypentyl sulfate?
The canonical SMILES for lithium 5-hydroxypentyl sulfate is O=S(=O)([O-])OCCCCCO.[Li+].
What is the InChIKey of lithium 5-hydroxypentyl sulfate?
The InChIKey is PXXBFQXGAJMYAG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12O5S.Li/c6-4-2-1-3-5-10-11(7,8)9;/h6H,1-5H2,(H,7,8,9);/q;+1/p-1.
What are the key properties of lithium 5-hydroxypentyl sulfate?
lithium 5-hydroxypentyl sulfate has a molecular weight of 190.15 g/mol, XLogP of -3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-hydroxypentyl sulfate is sourced from PubChem (CID 23563916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).