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N- (Hydroxy-PEG3) -N-bis (PEG4-Boc)

CAT: 0127-OR1038223-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1038223-01Size:100 mg
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CAS Number
2112734-70-8
MDL Number
MFCD30730366
Purity
95%
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCN(CCOCCOCCOCCO)CCOCCOCCOCCOCCC(OC(C)(C)C)=O

Chemical Information

N-(Hydroxy-PEG3)-N-bis(PEG4-Boc)
CAS Number2112734-70-8
PubChem CID126961968
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC38H75NO16
Molecular Weight802.0
XLogP-0.4
Topological Polar Surface Area178
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count17
Rotatable Bond Count45
Heavy Atom Count55
Formal Charge0
Complexity799
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCO)CCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C38H75NO16/c1-37(2,3)54-35(41)7-13-43-19-25-49-31-33-52-28-22-46-16-10-39(9-15-45-21-27-51-30-24-48-18-12-40)11-17-47-23-29-53-34-32-50-26-20-44-14-8-36(42)55-38(4,5)6/h40H,7-34H2,1-6H3
InChIKey
HUNABBFTEGRMNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(Hydroxy-PEG3)-N-bis(PEG4-Boc)
CAS: 2112734-70-8
CID: 126961968
Formula: C38H75NO16
MW: 802.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight802.0
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count17
Rotatable Bond Count45
Exact Mass801.50858530
Monoisotopic Mass801.50858530
Topological Polar Surface Area178 Ų
Heavy Atom Count55
Formal Charge0
Complexity799
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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