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Bis-PEG13-t-butyl ester

CAT: 0013-GTR19265593-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19265593-01Size:50 mg
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Description
Bis-PEG13-t-butyl ester, a homofunctional disubstituted PEG derivative, is utilized in drug delivery.
CAS Number
2225903-65-9
Smiles
O=C (OC (C) (C) C) CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC (=O) OC (C) (C) C
Molecular Formula
C38H74O17
Molecular Weight
802.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bis-PEG13-t-butyl ester
CAS Number2225903-65-9
PubChem CID123132125
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC38H74O17
Molecular Weight803.0
XLogP-0.1
Topological Polar Surface Area173
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count17
Rotatable Bond Count46
Heavy Atom Count55
Formal Charge0
Complexity769
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C38H74O17/c1-37(2,3)54-35(39)7-9-41-11-13-43-15-17-45-19-21-47-23-25-49-27-29-51-31-33-53-34-32-52-30-28-50-26-24-48-22-20-46-18-16-44-14-12-42-10-8-36(40)55-38(4,5)6/h7-34H2,1-6H3
InChIKey
FXQVVLZWDCGFRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-PEG13-t-butyl ester
CAS: 2225903-65-9
CID: 123132125
Formula: C38H74O17
MW: 803.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight803.0
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count17
Rotatable Bond Count46
Exact Mass802.49260089
Monoisotopic Mass802.49260089
Topological Polar Surface Area173 Ų
Heavy Atom Count55
Formal Charge0
Complexity769
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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