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663599-11-9

663599-11-9 | 1-(4-((3-(dimethylcarbamoyl)pyridin-4-yl)disulfanyl)pentanoyloxy)-2,5-dioxopyrrolidine-3-sulfonic acid

CAS No: 663599-11-9 Catalog No: AG01EN15 MDL No:

Product Description

Catalog Number:
AG01EN15
Chemical Name:
1-(4-((3-(dimethylcarbamoyl)pyridin-4-yl)disulfanyl)pentanoyloxy)-2,5-dioxopyrrolidine-3-sulfonic acid
CAS Number:
663599-11-9
IUPAC Name:
1-[4-[[3-(dimethylcarbamoyl)pyridin-4-yl]disulfanyl]pentanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
InChI:
InChI=1S/C17H21N3O8S3/c1-10(29-30-12-6-7-18-9-11(12)16(23)19(2)3)4-5-15(22)28-20-14(21)8-13(17(20)24)31(25,26)27/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,25,26,27)
InChI Key:
BZNFRACCQKDBEB-UHFFFAOYSA-N

Properties

Complexity:
814  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.049g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
491.548g/mol
Monoisotopic Mass:
491.049g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
210A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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