magnesium icosyl hydrogen sulfate

C20H42MgO4S+2 — CID 21125099

IUPACmagnesium icosyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.[Mg+2]
InChIInChI=1S/C20H42O4S.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+2
InChIKeyAHGZLBAZRGZMBA-UHFFFAOYSA-N
MW402.92 g/mol
LogP6.47
Rot. Bonds20

About magnesium icosyl hydrogen sulfate

magnesium icosyl hydrogen sulfate (PubChem CID 21125099) has the molecular formula C20H42MgO4S+2 and a molecular weight of 402.92 g/mol. Its IUPAC name is magnesium icosyl hydrogen sulfate.

Molecular Properties

Compound Namemagnesium icosyl hydrogen sulfate
PubChem CID21125099
Molecular FormulaC20H42MgO4S+2
Molecular Weight402.92 g/mol
Exact Mass402.26
IUPAC Namemagnesium icosyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.[Mg+2]
InChIInChI=1S/C20H42O4S.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+2
InChIKeyAHGZLBAZRGZMBA-UHFFFAOYSA-N
XLogP6.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.92
LogP ≤ 56.47
H-Bond Donors ≤ 51
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

decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
alumane;octadecyl hydrogen sulfate
CID 175420064
CID 170845374
CID 170845374
azanium decyl hydrogen sulfate
CID 21115891
sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
butyl hydrogen sulfate;heptane
CID 175360663
azane;N,N-dimethylmethanamine;octyl hydrogen sulfate
CID 174666846
potassium;dodecyl hydrogen sulfate;propane
CID 175112057
4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
CID 87407743

Frequently Asked Questions

What is the IUPAC name of magnesium icosyl hydrogen sulfate?
The IUPAC name of magnesium icosyl hydrogen sulfate (CID 21125099) is magnesium icosyl hydrogen sulfate.
What is the SMILES notation for magnesium icosyl hydrogen sulfate?
The canonical SMILES for magnesium icosyl hydrogen sulfate is CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.[Mg+2].
What is the InChIKey of magnesium icosyl hydrogen sulfate?
The InChIKey is AHGZLBAZRGZMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4S.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+2.
What are the key properties of magnesium icosyl hydrogen sulfate?
magnesium icosyl hydrogen sulfate has a molecular weight of 402.92 g/mol, XLogP of 6.47, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium icosyl hydrogen sulfate is sourced from PubChem (CID 21125099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).