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Mal-amido-PEG24-acid

CAT: 0127-OR1034258Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
2171095-70-6
Purity
98%
Smiles
O=C(CCN1C(C=CC1=O)=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O

Chemical Information

Mal-amido-PEG24-acid
CAS Number2171095-70-6
PubChem CID91757916
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC58H108N2O29
Molecular Weight1297.5
XLogP-4.3
Topological Polar Surface Area325
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count29
Rotatable Bond Count78
Heavy Atom Count89
Formal Charge0
Complexity1520
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C58H108N2O29/c61-55(3-6-60-56(62)1-2-57(60)63)59-5-8-67-10-12-69-14-16-71-18-20-73-22-24-75-26-28-77-30-32-79-34-36-81-38-40-83-42-44-85-46-48-87-50-52-89-54-53-88-51-49-86-47-45-84-43-41-82-39-37-80-35-33-78-31-29-76-27-25-74-23-21-72-19-17-70-15-13-68-11-9-66-7-4-58(64)65/h1-2H,3-54H2,(H,59,61)(H,64,65)
InChIKey
VNHIQJDLBQOCHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-amido-PEG24-acid
CAS: 2171095-70-6
CID: 91757916
Formula: C58H108N2O29
MW: 1297.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1297.5
XLogP3-4.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count29
Rotatable Bond Count78
Exact Mass1296.70377541
Monoisotopic Mass1296.70377541
Topological Polar Surface Area325 Ų
Heavy Atom Count89
Formal Charge0
Complexity1520
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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