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Boc-NH-PEG11-OH

CAT: 0127-BUP16432Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16432Size:10 mg
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CAS Number
1556847-53-0
Purity
=98%
Smiles
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)OCCNC(OC(C)(C)C)=O

Chemical Information

BocNH-PEG11-OH
CAS Number1556847-53-0
PubChem CID126480541
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC27H55NO13
Molecular Weight601.7
XLogP-1.2
Topological Polar Surface Area151
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count34
Heavy Atom Count41
Formal Charge0
Complexity538
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C27H55NO13/c1-27(2,3)41-26(30)28-4-6-31-8-10-33-12-14-35-16-18-37-20-22-39-24-25-40-23-21-38-19-17-36-15-13-34-11-9-32-7-5-29/h29H,4-25H2,1-3H3,(H,28,30)
InChIKey
KGVDKOKPGBIPFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BocNH-PEG11-OH
CAS: 1556847-53-0
CID: 126480541
Formula: C27H55NO13
MW: 601.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight601.7
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count34
Exact Mass601.36734081
Monoisotopic Mass601.36734081
Topological Polar Surface Area151 Ų
Heavy Atom Count41
Formal Charge0
Complexity538
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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