7-hydroxyheptadecan-8-yl hydrogen sulfate

C17H36O5S — CID 158526306

IUPAC7-hydroxyheptadecan-8-yl hydrogen sulfate
SMILESCCCCCCCCCC(OS(=O)(=O)O)C(O)CCCCCC
InChIInChI=1S/C17H36O5S/c1-3-5-7-9-10-11-13-15-17(22-23(19,20)21)16(18)14-12-8-6-4-2/h16-18H,3-15H2,1-2H3,(H,19,20,21)
InChIKeyQZDQRGPKRBFAFD-UHFFFAOYSA-N
MW352.54 g/mol
LogP4.65
Rot. Bonds16

About 7-hydroxyheptadecan-8-yl hydrogen sulfate

7-hydroxyheptadecan-8-yl hydrogen sulfate (PubChem CID 158526306) has the molecular formula C17H36O5S and a molecular weight of 352.54 g/mol. Its IUPAC name is 7-hydroxyheptadecan-8-yl hydrogen sulfate.

Molecular Properties

Compound Name7-hydroxyheptadecan-8-yl hydrogen sulfate
PubChem CID158526306
Molecular FormulaC17H36O5S
Molecular Weight352.54 g/mol
Exact Mass352.23
IUPAC Name7-hydroxyheptadecan-8-yl hydrogen sulfate
SMILESCCCCCCCCCC(OS(=O)(=O)O)C(O)CCCCCC
InChIInChI=1S/C17H36O5S/c1-3-5-7-9-10-11-13-15-17(22-23(19,20)21)16(18)14-12-8-6-4-2/h16-18H,3-15H2,1-2H3,(H,19,20,21)
InChIKeyQZDQRGPKRBFAFD-UHFFFAOYSA-N
XLogP4.65
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-hydroxyheptadecan-8-yl hydrogen 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

2-methyldecan-3-yl hydrogen sulfate
CID 154505461
2-sulfooxydecan-3-yl hydrogen sulfate
CID 21409613
[(2R)-dodecan-2-yl] hydrogen sulfate
CID 101191211
decan-5-yl hydrogen sulfate;2-methyloctan-3-yl hydrogen sulfate
CID 162150840
1,1,1,2,2,3-hexafluoroundecan-4-yl hydrogen sulfate
CID 175684928
dodecan-5-yl hydrogen sulfate;zinc
CID 174762801
decan-3-yl hydrogen sulfate
CID 88755449
1-hydroxyhenicosan-3-yl hydrogen sulfate
CID 150445681
3-methyltridecan-2-yl hydrogen sulfate
CID 134207540
[(5R,6S)-5-hydroxyhexadecan-6-yl] acetate
CID 142709765
sodium 1,1-dihydroxytridecan-2-yl sulfate
CID 177313755
1-(dimethylamino)docosyl hydrogen sulfate
CID 155092143

Frequently Asked Questions

What is the IUPAC name of 7-hydroxyheptadecan-8-yl hydrogen sulfate?
The IUPAC name of 7-hydroxyheptadecan-8-yl hydrogen sulfate (CID 158526306) is 7-hydroxyheptadecan-8-yl hydrogen sulfate.
What is the SMILES notation for 7-hydroxyheptadecan-8-yl hydrogen sulfate?
The canonical SMILES for 7-hydroxyheptadecan-8-yl hydrogen sulfate is CCCCCCCCCC(OS(=O)(=O)O)C(O)CCCCCC.
What is the InChIKey of 7-hydroxyheptadecan-8-yl hydrogen sulfate?
The InChIKey is QZDQRGPKRBFAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O5S/c1-3-5-7-9-10-11-13-15-17(22-23(19,20)21)16(18)14-12-8-6-4-2/h16-18H,3-15H2,1-2H3,(H,19,20,21).
What are the key properties of 7-hydroxyheptadecan-8-yl hydrogen sulfate?
7-hydroxyheptadecan-8-yl hydrogen sulfate has a molecular weight of 352.54 g/mol, XLogP of 4.65, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyheptadecan-8-yl hydrogen sulfate is sourced from PubChem (CID 158526306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).