ChemicalBook--->CAS DataBase List--->17598-96-8

17598-96-8

17598-96-8 Structure

17598-96-8 Structure
IdentificationBack Directory
[Name]

3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
[CAS]

17598-96-8
[Synonyms]

PEG13
17598-96-8
HO-PEG13-OH
CAS_17598-96-8
Einecs 241-569-7
tridecaethylene glycol
3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxaoctatriacontan-1,38-diol
3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxa-1,38-octatriacontanediol
3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
2,2'-[1,2-Ethanediylbis[oxy(2,1-ethanediyl)oxy(2,1-ethanediyl)oxy(2,1-ethanediyl)oxy(2,1-ethanediyl)oxy(2,1-ethanediyl)oxy]]bis(ethanol)
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
[EINECS(EC#)]

241-569-7
[Molecular Formula]

C26H54O14
[MDL Number]

MFCD20926392
[MOL File]

17598-96-8.mol
[Molecular Weight]

590.7
Chemical PropertiesBack Directory
[Boiling point ]

631.6±50.0 °C(Predicted)
[density ]

1.116±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

14.06±0.10(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C26H54O14/c27-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-25-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h27-28H,1-26H2
[InChIKey]

AKWFJQNBHYVIPY-UHFFFAOYSA-N
[SMILES]

C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Description]

PEG14 is a PEG chain consisting of 13 ethylene glycol subunits and two terminal hydroxyl groups. The hydroxyl groups can participate in reactions to further derivatize the compound. The hydrophilic PEG chain increases the water solubility of the compound in aqueous media. The water solubility properties of the PEG linker are enhanced with longer PEG chains.
[Uses]

HO-PEG13-OH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
[IC 50]

PEGs
[References]

[1] An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562 DOI:10.1016/j.ebiom.2018.09.005
Spectrum DetailBack Directory
[Spectrum Detail]

3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol(17598-96-8)1HNMR
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