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452072-27-4 | 2,5-dioxo-1-(4-(pyridin-2-yldisulfanyl)pentanoyloxy)pyrrolidine-3-sulfonic acid
CAS No: 452072-27-4 Catalog No: AG003G0E MDL No:
Product Description
Catalog Number:
AG003G0E
Chemical Name:
2,5-dioxo-1-(4-(pyridin-2-yldisulfanyl)pentanoyloxy)pyrrolidine-3-sulfonic acid
CAS Number:
452072-27-4
Molecular Formula:
C14H16N2O7S3
Molecular Weight:
420.4810
IUPAC Name:
2,5-dioxo-1-[4-(pyridin-2-yldisulfanyl)pentanoyloxy]pyrrolidine-3-sulfonic acid
InChI:
InChI=1S/C14H16N2O7S3/c1-9(24-25-11-4-2-3-7-15-11)5-6-13(18)23-16-12(17)8-10(14(16)19)26(20,21)22/h2-4,7,9-10H,5-6,8H2,1H3,(H,20,21,22)
InChI Key:
ORKSBKSSOSUJOY-UHFFFAOYSA-N
SMILES:
CC(SSc1ccccn1)CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.012g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.469g/mol
Monoisotopic Mass:
420.012g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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