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Bromoacetamido-PEG4- NHS ester

CAT: 0127-BIPG1317Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG1317Size:50 mg
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CAS Number
1260139-70-5
MDL Number
MFCD20229159
Smiles
BrCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Additionnal Information
Keep Cold
Storage Conditions
Store at 2-8°C

Chemical Information

Bromoacetamido-PEG4-NHS ester
CAS Number1260139-70-5
PubChem CID77078534
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC17H27BrN2O9
Molecular Weight483.3
XLogP-1.3
Topological Polar Surface Area130
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count29
Formal Charge0
Complexity517
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CBr
InChI
InChI=1S/C17H27BrN2O9/c18-13-14(21)19-4-6-26-8-10-28-12-11-27-9-7-25-5-3-17(24)29-20-15(22)1-2-16(20)23/h1-13H2,(H,19,21)
InChIKey
BONNYNBXMCRXBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromoacetamido-PEG4-NHS ester
CAS: 1260139-70-5
CID: 77078534
Formula: C17H27BrN2O9
MW: 483.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight483.3
XLogP3-1.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass482.08999
Monoisotopic Mass482.08999
Topological Polar Surface Area130 Ų
Heavy Atom Count29
Formal Charge0
Complexity517
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