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173414-89-6 | 2,5-Pyrrolidinedione, 1,1'-[[2-[[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropoxy]methyl]-2-methyl-1,3-propanediyl]bis[oxy(1-oxo-3,1-propanediyl)oxy]]bis-
CAS No: 173414-89-6 Catalog No: AG001YV1 MDL No:
Product Description
Catalog Number:
AG001YV1
Chemical Name:
2,5-Pyrrolidinedione, 1,1'-[[2-[[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropoxy]methyl]-2-methyl-1,3-propanediyl]bis[oxy(1-oxo-3,1-propanediyl)oxy]]bis-
CAS Number:
173414-89-6
Molecular Formula:
C26H33N3O15
Molecular Weight:
627.5513
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]-2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]methyl]-2-methylpropoxy]propanoate
InChI:
InChI=1S/C26H33N3O15/c1-26(14-39-11-8-23(36)42-27-17(30)2-3-18(27)31,15-40-12-9-24(37)43-28-19(32)4-5-20(28)33)16-41-13-10-25(38)44-29-21(34)6-7-22(29)35/h2-16H2,1H3
InChI Key:
IMRQCGBFYSSHHS-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCOCC(COCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)ON1C(=O)CCC1=O)C
Properties
Complexity:
997
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
627.191g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
627.556g/mol
Monoisotopic Mass:
627.191g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
219A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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