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M-PEG4- (CH2) 6-Phosphonic acid

CAT: 0931-T15874-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15874-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2028281-85-6
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
M-PEG4- (CH2) 6-Phosphonic acid is a polyethylene glycol-based linker compound designed for synthesizing proteolysis targeting chimeras (PROTACs) [1].
Smiles
O=P(O)(O)CCCCCCCCOCCOCCOCCOC
Molecular Formula
C15H33O7P
Molecular Weight
356.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

m-PEG4-(CH2)8-phosphonic acid
CAS Number2028281-85-6
PubChem CID123132067
IUPAC Name8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid
Molecular FormulaC15H33O7P
Molecular Weight356.39
XLogP0.3
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count23
Formal Charge0
Complexity283
SMILES
COCCOCCOCCOCCCCCCCCP(=O)(O)O
InChI
InChI=1S/C15H33O7P/c1-19-9-10-21-13-14-22-12-11-20-8-6-4-2-3-5-7-15-23(16,17)18/h2-15H2,1H3,(H2,16,17,18)
InChIKey
JNQSHEHZCLMYKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG4-(CH2)8-phosphonic acid
CAS: 2028281-85-6
CID: 123132067
Formula: C15H33O7P
MW: 356.39
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight356.39
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass356.19639039
Monoisotopic Mass356.19639039
Topological Polar Surface Area94.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity283
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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