Home Sulfos 1H-Pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, sodium salt (1:1)

1H-Pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, sodium salt (1:1)

CAS No.:
211236-68-9
Catalog Number:
AG002L88
Molecular Formula:
C19H26N2NaO9S
Molecular Weight:
481.4725
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Product Description
Catalog Number:
AG002L88
Chemical Name:
1H-Pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, sodium salt (1:1)
CAS Number:
211236-68-9
Molecular Formula:
C19H26N2NaO9S
Molecular Weight:
481.4725
MDL Number:
MFCD01863412
IUPAC Name:
sodium;1-[11-(2,5-dioxopyrrol-1-yl)undecanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
InChI:
InChI=1S/C19H26N2O9S.Na/c22-15-10-11-16(23)20(15)12-8-6-4-2-1-3-5-7-9-18(25)30-21-17(24)13-14(19(21)26)31(27,28)29;/h10-11,14H,1-9,12-13H2,(H,27,28,29);/q;+1/p-1
InChI Key:
MKNJJMHQBYVHRS-UHFFFAOYSA-M
SMILES:
O=C(ON1C(=O)CC(C1=O)S(=O)(=O)O)CCCCCCCCCCN1C(=O)C=CC1=O.[Na]
Properties
Complexity:
849  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.118g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.464g/mol
Monoisotopic Mass:
480.118g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties