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M-PEG5-phosphonic acid

CAT: 0127-BIPG1636-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG1636-01Size:100 mg
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CAS Number
1807512-39-5
MDL Number
MFCD28505503
Smiles
COCCOCCOCCOCCOCCP(=O)(O)O
Storage Conditions
Store at -20°C

Chemical Information

m-PEG5-phosphonic acid
CAS Number1807512-39-5
PubChem CID91757730
IUPAC Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethylphosphonic acid
Molecular FormulaC11H25O8P
Molecular Weight316.28
XLogP-2.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity245
SMILES
COCCOCCOCCOCCOCCP(=O)(O)O
InChI
InChI=1S/C11H25O8P/c1-15-2-3-16-4-5-17-6-7-18-8-9-19-10-11-20(12,13)14/h2-11H2,1H3,(H2,12,13,14)
InChIKey
RCTDZLSRRJVKHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG5-phosphonic acid
CAS: 1807512-39-5
CID: 91757730
Formula: C11H25O8P
MW: 316.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight316.28
XLogP3-2.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass316.12870475
Monoisotopic Mass316.12870475
Topological Polar Surface Area104 Ų
Heavy Atom Count20
Formal Charge0
Complexity245
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