Bromoacetamido-PEG3-TCO

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Bromoacetamido-PEG3-TCO

Bromoacetamido-PEG3-TCO

Catelog Number R15-0002
Category TCO
Molecular Formula C21H37BrN2O6
Molecular Weight 493.4
Catalog Number Size Price Quantity
R15-0002 -- $--

Chemical Information

Purity 96 %
IUPAC Name [(2E)-cyclooct-2-en-1-yl] N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]carbamate
Canonical SMILES C1CCC=CC(CC1)OC(=O)NCCCOCCOCCOCCCNC(=O)CBr
InChI InChI=1S/C21H37BrN2O6/c22-18-20(25)23-10-6-12-27-14-16-29-17-15-28-13-7-11-24-21(26)30-19-8-4-2-1-3-5-9-19/h4,8,19H,1-3,5-7,9-18H2,(H,23,25)(H,24,26)/b8-4+
InChI Key HBTJXNPPRJQQNV-XBXARRHUSA-N

Product Specification

Storage -20 °C

Computed Properties

XLogP3 2.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 17
Exact Mass 492.18350 g/mol
Monoisotopic Mass 492.18350 g/mol
Topological Polar Surface Area 95.1Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 478
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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