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Tos-PEG7-Tos

CAT: 0127-BIPG1871-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG1871-01Size:250 mg
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CAS Number
42749-27-9
MDL Number
MFCD00319275
Purity
97%
Smiles
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2

Chemical Information

Hexaethylene Glycol Di-p-toluenesulfonate
CAS Number42749-27-9
PubChem CID428918
IUPAC Name2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Molecular FormulaC26H38O11S2
Molecular Weight590.7
XLogP2.2
Topological Polar Surface Area150
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count22
Heavy Atom Count39
Formal Charge0
Complexity740
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C26H38O11S2/c1-23-3-7-25(8-4-23)38(27,28)36-21-19-34-17-15-32-13-11-31-12-14-33-16-18-35-20-22-37-39(29,30)26-9-5-24(2)6-10-26/h3-10H,11-22H2,1-2H3
InChIKey
ZIZXHPCBPDNLDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexaethylene Glycol Di-p-toluenesulfonate
CAS: 42749-27-9
CID: 428918
Formula: C26H38O11S2
MW: 590.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.7
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count22
Exact Mass590.18555437
Monoisotopic Mass590.18555437
Topological Polar Surface Area150 Ų
Heavy Atom Count39
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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