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Home > Nitro Compounds > 663598-98-9
663598-98-9 | 2,5-dioxopyrrolidin-1-yl 4-methyl-4-((5-nitropyridin-2-yl)disulfanyl)pentanoate
CAS No: 663598-98-9 Catalog No: AG003G0Q MDL No:MFCD20228009
Product Description
Catalog Number:
AG003G0Q
Chemical Name:
2,5-dioxopyrrolidin-1-yl 4-methyl-4-((5-nitropyridin-2-yl)disulfanyl)pentanoate
CAS Number:
663598-98-9
Molecular Formula:
C15H17N3O6S2
Molecular Weight:
399.4420
MDL Number:
MFCD20228009
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 4-methyl-4-[(5-nitropyridin-2-yl)disulfanyl]pentanoate
InChI:
InChI=1S/C15H17N3O6S2/c1-15(2,26-25-11-4-3-10(9-16-11)18(22)23)8-7-14(21)24-17-12(19)5-6-13(17)20/h3-4,9H,5-8H2,1-2H3
InChI Key:
AQKHEWNNTCBJPY-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCC(SSc1ccc(cn1)[N+](=O)[O-])(C)C
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.056g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.436g/mol
Monoisotopic Mass:
399.056g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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