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1159006-15-1 | Propanoic acid, 3-[(23-mercapto-3,6,9,12,15,18,21-heptaoxatricos-1-yl)oxy]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 1159006-15-1 Catalog No: AG000H2Q MDL No:
Product Description
Catalog Number:
AG000H2Q
Chemical Name:
Propanoic acid, 3-[(23-mercapto-3,6,9,12,15,18,21-heptaoxatricos-1-yl)oxy]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1159006-15-1
Molecular Formula:
C23H41NO12S
Molecular Weight:
555.6361
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C23H41NO12S/c25-21-1-2-22(26)24(21)36-23(27)3-4-28-5-6-29-7-8-30-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-19-20-37/h37H,1-20H2
InChI Key:
VAFJMGGYNUTARY-UHFFFAOYSA-N
SMILES:
SCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
555.235g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
555.636g/mol
Monoisotopic Mass:
555.235g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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