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M-dPEG®4-Lipoamide

CAT: 0926-DPG-6156-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-DPG-6156-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
365441-71-0
Molecular Formula
C41H72N4O18S
Molecular Weight
941.09 g/mol
Controlled
No

Chemical Information

Biotin-PEG12-NHS ester
CAS Number365441-71-0
PubChem CID58481068
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC41H72N4O18S
Molecular Weight941.1
XLogP-2.7
Topological Polar Surface Area270
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count19
Rotatable Bond Count46
Heavy Atom Count64
Formal Charge0
Complexity1250
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChI
InChI=1S/C41H72N4O18S/c46-36(4-2-1-3-35-40-34(33-64-35)43-41(50)44-40)42-8-10-52-12-14-54-16-18-56-20-22-58-24-26-60-28-30-62-32-31-61-29-27-59-25-23-57-21-19-55-17-15-53-13-11-51-9-7-39(49)63-45-37(47)5-6-38(45)48/h34-35,40H,1-33H2,(H,42,46)(H2,43,44,50)/t34-,35-,40-/m0/s1
InChIKey
WOLXSUFTTIRQOU-BVCQTOFBSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG12-NHS ester
CAS: 365441-71-0
CID: 58481068
Formula: C41H72N4O18S
MW: 941.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight941.1
XLogP3-2.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count19
Rotatable Bond Count46
Exact Mass940.45623263
Monoisotopic Mass940.45623263
Topological Polar Surface Area270 Ų
Heavy Atom Count64
Formal Charge0
Complexity1250
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes