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1599472-25-9 | 4,7,10,13,16,19-Hexaoxaheneicosanoic acid, 21-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 1599472-25-9 Catalog No: AG001RJC MDL No:MFCD20926374
Product Description
Catalog Number:
AG001RJC
Chemical Name:
4,7,10,13,16,19-Hexaoxaheneicosanoic acid, 21-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1599472-25-9
Molecular Formula:
C23H34N2O12
Molecular Weight:
530.5223
MDL Number:
MFCD20926374
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C23H34N2O12/c26-19-1-2-20(27)24(19)6-8-32-10-12-34-14-16-36-18-17-35-15-13-33-11-9-31-7-5-23(30)37-25-21(28)3-4-22(25)29/h1-2H,3-18H2
InChI Key:
UUNUCVXNAHYFJP-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
Properties
Complexity:
754
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.211g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.527g/mol
Monoisotopic Mass:
530.211g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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