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Trt-PEG4-C2-acid hydrate

CAT: 0931-T38574-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T38574-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189873-11-7
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
Trt-PEG4-C2-acid (hydrate) is a polyethylene glycol (PEG) -derived linker, specifically engineered for the synthesis of Proteolysis Targeting Chimeras (PROTACs) .
Smiles
O=C(O)CCOCCOCCOCCOCCSC(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3.O
Molecular Formula
C30H38O7S
Molecular Weight
542.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

15-Tritylmercapto-4,7,10,13-tetraoxapentadecanoic acid monohydrate
CAS Number1189873-11-7
PubChem CID17040190
IUPAC Name3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;hydrate
Molecular FormulaC30H38O7S
Molecular Weight542.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count38
Formal Charge0
Complexity539
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCOCCOCCOCCOCCC(=O)O.O
InChI
InChI=1S/C30H36O6S.H2O/c31-29(32)16-17-33-18-19-34-20-21-35-22-23-36-24-25-37-30(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28;/h1-15H,16-25H2,(H,31,32);1H2
InChIKey
QACKFJOUHFJFAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 15-Tritylmercapto-4,7,10,13-tetraoxapentadecanoic acid monohydrate
CAS: 1189873-11-7
CID: 17040190
Formula: C30H38O7S
MW: 542.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass542.23382472
Monoisotopic Mass542.23382472
Topological Polar Surface Area101 Ų
Heavy Atom Count38
Formal Charge0
Complexity539
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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