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Mal-amido-PEG6-NHS

CAT: 0024-sc-496711Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-496711Size:100 mg
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CAS Number
1137109-21-7

Chemical Information

Mal-amido-PEG6-NHS
CAS Number1137109-21-7
PubChem CID77078209
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC26H39N3O13
Molecular Weight601.6
XLogP-3.2
Topological Polar Surface Area186
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count26
Heavy Atom Count42
Formal Charge0
Complexity893
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C26H39N3O13/c30-21(5-8-28-22(31)1-2-23(28)32)27-7-10-37-12-14-39-16-18-41-20-19-40-17-15-38-13-11-36-9-6-26(35)42-29-24(33)3-4-25(29)34/h1-2H,3-20H2,(H,27,30)
InChIKey
AVCPTIUOZBWCKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-amido-PEG6-NHS
CAS: 1137109-21-7
CID: 77078209
Formula: C26H39N3O13
MW: 601.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight601.6
XLogP3-3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count26
Exact Mass601.24828831
Monoisotopic Mass601.24828831
Topological Polar Surface Area186 Ų
Heavy Atom Count42
Formal Charge0
Complexity893
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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