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Azido-PEG12-NHS ester

CAT: 0024-sc-496413Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-496413Size:100 mg
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CAS Number
1108750-59-9

Chemical Information

(2,5-Dioxopyrrolidin-1-yl) 3-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)propanoate
CAS Number1108750-59-9
PubChem CID51340930
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC31H56N4O16
Molecular Weight740.8
XLogP-1.7
Topological Polar Surface Area189
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count18
Rotatable Bond Count41
Heavy Atom Count51
Formal Charge0
Complexity884
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C31H56N4O16/c32-34-33-4-6-40-8-10-42-12-14-44-16-18-46-20-22-48-24-26-50-28-27-49-25-23-47-21-19-45-17-15-43-13-11-41-9-7-39-5-3-31(38)51-35-29(36)1-2-30(35)37/h1-28H2
InChIKey
JSNJRDFOCXNHTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,5-Dioxopyrrolidin-1-yl) 3-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)propanoate
CAS: 1108750-59-9
CID: 51340930
Formula: C31H56N4O16
MW: 740.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight740.8
XLogP3-1.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count18
Rotatable Bond Count41
Exact Mass740.36913171
Monoisotopic Mass740.36913171
Topological Polar Surface Area189 Ų
Heavy Atom Count51
Formal Charge0
Complexity884
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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HY-141356-01SPDP-PEG12-NHS ester
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T17561-01Biotin-PEG12-NHS ester
MBS3615572-01Fmoc-PEG12-NHS ester
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