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1417793-09-9 | di-tert-butyl 3,3'-(disulfanediylbis(methylene))bis(pyrrolidine-1-carboxylate)
CAS No: 1417793-09-9 Catalog No: AG001H3F MDL No:MFCD22631791
Product Description
Catalog Number:
AG001H3F
Chemical Name:
di-tert-butyl 3,3'-(disulfanediylbis(methylene))bis(pyrrolidine-1-carboxylate)
CAS Number:
1417793-09-9
Molecular Formula:
C20H36N2O4S2
Molecular Weight:
432.6408
MDL Number:
MFCD22631791
IUPAC Name:
tert-butyl 3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyldisulfanyl]methyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C20H36N2O4S2/c1-19(2,3)25-17(23)21-9-7-15(11-21)13-27-28-14-16-8-10-22(12-16)18(24)26-20(4,5)6/h15-16H,7-14H2,1-6H3
InChI Key:
HMUNCMDMBOMSER-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)CSSCC1CCN(C1)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.212g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.638g/mol
Monoisotopic Mass:
432.212g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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