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Mal-PEG8-NHS ester

CAT: 0127-OR1036003-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1036003-01Size:100 mg
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CAS Number
2055033-05-9
Purity
98%
Smiles
O=C(ON1C(CCC1=O)=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN2C(C=CC2=O)=O

Chemical Information

Mal-PEG8-NHS ester
CAS Number2055033-05-9
PubChem CID123132102
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC27H42N2O14
Molecular Weight618.6
XLogP-2.8
Topological Polar Surface Area175
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count29
Heavy Atom Count43
Formal Charge0
Complexity850
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C27H42N2O14/c30-23-1-2-24(31)28(23)6-8-36-10-12-38-14-16-40-18-20-42-22-21-41-19-17-39-15-13-37-11-9-35-7-5-27(34)43-29-25(32)3-4-26(29)33/h1-2H,3-22H2
InChIKey
JJKBMZPIICCZSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG8-NHS ester
CAS: 2055033-05-9
CID: 123132102
Formula: C27H42N2O14
MW: 618.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.6
XLogP3-2.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count29
Exact Mass618.26360402
Monoisotopic Mass618.26360402
Topological Polar Surface Area175 Ų
Heavy Atom Count43
Formal Charge0
Complexity850
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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