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Boc-NH-PEG15-NH2

CAT: 0127-OR1032319Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
2222566-55-2
Purity
98%
Smiles
O=C(OC(C)(C)C)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN

Chemical Information

Boc-NH-PEG15-NH2
CAS Number2222566-55-2
PubChem CID91757821
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC37H76N2O17
Molecular Weight821.0
XLogP-2.2
Topological Polar Surface Area203
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count49
Heavy Atom Count56
Formal Charge0
Complexity771
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C37H76N2O17/c1-37(2,3)56-36(40)39-5-7-42-9-11-44-13-15-46-17-19-48-21-23-50-25-27-52-29-31-54-33-35-55-34-32-53-30-28-51-26-24-49-22-20-47-18-16-45-14-12-43-10-8-41-6-4-38/h4-35,38H2,1-3H3,(H,39,40)
InChIKey
RTWNWTAZZLCVOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boc-NH-PEG15-NH2
CAS: 2222566-55-2
CID: 91757821
Formula: C37H76N2O17
MW: 821.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight821.0
XLogP3-2.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count49
Exact Mass820.51439896
Monoisotopic Mass820.51439896
Topological Polar Surface Area203 Ų
Heavy Atom Count56
Formal Charge0
Complexity771
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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