ditetracosyl sulfate

C48H98O4S — CID 101286725

IUPACditetracosyl sulfate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H98O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-53(49,50)52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3
InChIKeyHUSBASCPHXYVLX-UHFFFAOYSA-N
MW771.37 g/mol
LogP17.47
Rot. Bonds48

About ditetracosyl sulfate

ditetracosyl sulfate (PubChem CID 101286725) has the molecular formula C48H98O4S and a molecular weight of 771.37 g/mol. Its IUPAC name is ditetracosyl sulfate.

Molecular Properties

Compound Nameditetracosyl sulfate
PubChem CID101286725
Molecular FormulaC48H98O4S
Molecular Weight771.37 g/mol
Exact Mass770.72
IUPAC Nameditetracosyl sulfate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H98O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-53(49,50)52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3
InChIKeyHUSBASCPHXYVLX-UHFFFAOYSA-N
XLogP17.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds48
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.37
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentyl undecyl sulfate
CID 174900896
azanium didodecyl sulfate
CID 23617704
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
sodium dihexadecyl sulfate
CID 23616668
ethyl octyl sulfate
CID 22483719
bis(3-hexoxypropyl) sulfate
CID 139845289
dodecyl 12-hydroxydodecyl sulfate
CID 54032685
2-aminoethyl dodecyl sulfate
CID 87208961
sodium;didodecyl sulfate;hydride;sulfuric acid
CID 174107474
dodecyl 2-sulfanylethyl sulfate
CID 88509684
CID 158400651
CID 158400651

Frequently Asked Questions

What is the IUPAC name of ditetracosyl sulfate?
The IUPAC name of ditetracosyl sulfate (CID 101286725) is ditetracosyl sulfate.
What is the SMILES notation for ditetracosyl sulfate?
The canonical SMILES for ditetracosyl sulfate is CCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of ditetracosyl sulfate?
The InChIKey is HUSBASCPHXYVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H98O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-53(49,50)52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3.
What are the key properties of ditetracosyl sulfate?
ditetracosyl sulfate has a molecular weight of 771.37 g/mol, XLogP of 17.47, 48 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditetracosyl sulfate is sourced from PubChem (CID 101286725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).