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CAT#:0926-FM72945-05Size:2 g

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CAS Number

756525-90-3

Smiles

COCCOCCOCCOCCOCCOCCOCCOCCC (=O) ON1C (=O) CCC1=O

Molecular Formula

C22H39NO12

Molecular Weight

509.54 g/mol

Controlled

Chemical Information

1-((26-Oxo-2,5,8,11,14,17,20,23-octaoxahexacosan-26-yl)oxy)pyrrolidine-2,5-dione

CAS Number	756525-90-3
PubChem CID	51340981
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C22H39NO12
Molecular Weight	509.5
XLogP	-2
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	26
Heavy Atom Count	35
Formal Charge	0
Complexity	547

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C22H39NO12/c1-27-6-7-29-10-11-31-14-15-33-18-19-34-17-16-32-13-12-30-9-8-28-5-4-22(26)35-23-20(24)2-3-21(23)25/h2-19H2,1H3

InChIKey

IBZNTYBFTKFSMU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 756525-90-3

CID: 51340981

Formula: C22H39NO12

MW: 509.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	509.5
XLogP3	-2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	26
Exact Mass	509.24722568
Monoisotopic Mass	509.24722568
Topological Polar Surface Area	138 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	547
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