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TCO-PEG8-acid

CAT: 0127-BIPG2367-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2367-01Size:25 mg
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CAS Number
2353410-03-2
Purity
95%
Smiles
C1CC=CCCC (C1) OC (=O) NCCOCCOCCOCCOCCOCCOCCOCCOCCC (=O) O

Chemical Information

TCO-PEG8-acid
CAS Number2353410-03-2
PubChem CID146026007
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC28H51NO12
Molecular Weight593.7
XLogP0.6
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Heavy Atom Count41
Formal Charge0
Complexity637
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C28H51NO12/c30-27(31)8-10-33-12-14-35-16-18-37-20-22-39-24-25-40-23-21-38-19-17-36-15-13-34-11-9-29-28(32)41-26-6-4-2-1-3-5-7-26/h1-2,26H,3-25H2,(H,29,32)(H,30,31)/b2-1-
InChIKey
LIPCJNZAKQKTRV-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of TCO-PEG8-acid
CAS: 2353410-03-2
CID: 146026007
Formula: C28H51NO12
MW: 593.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight593.7
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Exact Mass593.34112606
Monoisotopic Mass593.34112606
Topological Polar Surface Area149 Ų
Heavy Atom Count41
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes