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1315355-92-0 | 4,7,10,13,16-Pentaoxa-19-azadocosanoic acid, 22-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-20-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 1315355-92-0 Catalog No: AG000ZD6 MDL No:
Product Description
Catalog Number:
AG000ZD6
Chemical Name:
4,7,10,13,16-Pentaoxa-19-azadocosanoic acid, 22-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-20-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1315355-92-0
Molecular Formula:
C24H35N3O12
Molecular Weight:
557.5476
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C24H35N3O12/c28-19(5-8-26-20(29)1-2-21(26)30)25-7-10-35-12-14-37-16-18-38-17-15-36-13-11-34-9-6-24(33)39-27-22(31)3-4-23(27)32/h1-2H,3-18H2,(H,25,28)
InChI Key:
CBUSUMKXBREGEQ-UHFFFAOYSA-N
SMILES:
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
844
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
557.222g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
557.553g/mol
Monoisotopic Mass:
557.222g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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