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Mal-PEG8-Boc

CAT: 0127-OR1034885-03Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1034885-03Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055048-43-4
Purity
95%
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(C=CC1=O)=O

Chemical Information

Mal-PEG8-t-butyl ester
CAS Number2055048-43-4
PubChem CID123132080
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC27H47NO12
Molecular Weight577.7
XLogP-0.9
Topological Polar Surface Area138
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Heavy Atom Count40
Formal Charge0
Complexity692
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChI
InChI=1S/C27H47NO12/c1-27(2,3)40-26(31)6-8-32-10-12-34-14-16-36-18-20-38-22-23-39-21-19-37-17-15-35-13-11-33-9-7-28-24(29)4-5-25(28)30/h4-5H,6-23H2,1-3H3
InChIKey
HAOLDMZFBZWLAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG8-t-butyl ester
CAS: 2055048-43-4
CID: 123132080
Formula: C27H47NO12
MW: 577.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.7
XLogP3-0.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Exact Mass577.30982593
Monoisotopic Mass577.30982593
Topological Polar Surface Area138 Ų
Heavy Atom Count40
Formal Charge0
Complexity692
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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