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Sodium eicosyl sulfate

CAT: 0024-sc-215872Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-215872Size:250 mg
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CAS Number
13177-49-6

Chemical Information

1-Eicosanol, 1-(hydrogen sulfate), sodium salt (1:1)
CAS Number13177-49-6
PubChem CID23670862
IUPAC Namesodium icosyl sulfate
Molecular FormulaC20H41NaO4S
Molecular Weight400.6
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count20
Heavy Atom Count26
Formal Charge0
Complexity355
SMILES
CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C20H42O4S.Na/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;+1/p-1
InChIKey
QNVVZAPPULYURG-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 1-Eicosanol, 1-(hydrogen sulfate), sodium salt (1:1)
CAS: 13177-49-6
CID: 23670862
Formula: C20H41NaO4S
MW: 400.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight400.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count20
Exact Mass400.26232524
Monoisotopic Mass400.26232524
Topological Polar Surface Area74.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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