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1137109-21-7 | 4,7,10,13,16,19-Hexaoxa-22-azapentacosanoic acid, 25-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-23-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 1137109-21-7 Catalog No: AG0009ER MDL No:
Product Description
Catalog Number:
AG0009ER
Chemical Name:
4,7,10,13,16,19-Hexaoxa-22-azapentacosanoic acid, 25-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-23-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1137109-21-7
Molecular Formula:
C26H39N3O13
Molecular Weight:
601.6002
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C26H39N3O13/c30-21(5-8-28-22(31)1-2-23(28)32)27-7-10-37-12-14-39-16-18-41-20-19-40-17-15-38-13-11-36-9-6-26(35)42-29-24(33)3-4-25(29)34/h1-2H,3-20H2,(H,27,30)
InChI Key:
AVCPTIUOZBWCKE-UHFFFAOYSA-N
SMILES:
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
893
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
601.248g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
601.606g/mol
Monoisotopic Mass:
601.248g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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