Azido-PEG8-NHS ester

CAT: 0127-BIPG1159-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG1159-01Size:100 mg

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CAS Number

1204834-00-3

MDL Number

MFCD13184949

Smiles

[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

Chemical Information

Azido-PEG8-NHS ester

CAS Number	1204834-00-3
PubChem CID	51340932
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C23H40N4O12
Molecular Weight	564.6
XLogP	-1.1
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	29
Heavy Atom Count	39
Formal Charge	0
Complexity	693

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]

InChI

InChI=1S/C23H40N4O12/c24-26-25-4-6-32-8-10-34-12-14-36-16-18-38-20-19-37-17-15-35-13-11-33-9-7-31-5-3-23(30)39-27-21(28)1-2-22(27)29/h1-20H2

InChIKey

AZXJVYAMFTUKFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1204834-00-3

CID: 51340932

Formula: C23H40N4O12

MW: 564.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	564.6
XLogP3	-1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	29
Exact Mass	564.26427272
Monoisotopic Mass	564.26427272
Topological Polar Surface Area	152 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	693
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes