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156143-99-6 | Cyclohexaneacetic acid, 4,4'-[dithiobis(2-amino-1,3-propanediyl)]bis-, bis(trifluoroacetate) (9CI)
CAS No: 156143-99-6 Catalog No: AG001OJW MDL No:
Product Description
Catalog Number:
AG001OJW
Chemical Name:
Cyclohexaneacetic acid, 4,4'-[dithiobis(2-amino-1,3-propanediyl)]bis-, bis(trifluoroacetate) (9CI)
CAS Number:
156143-99-6
IUPAC Name:
2-[4-[2-amino-3-[[2-amino-3-[4-(carboxymethyl)cyclohexyl]propyl]disulfanyl]propyl]cyclohexyl]acetic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C22H40N2O4S2.2C2HF3O2/c23-19(9-15-1-5-17(6-2-15)11-21(25)26)13-29-30-14-20(24)10-16-3-7-18(8-4-16)12-22(27)28;2*3-2(4,5)1(6)7/h15-20H,1-14,23-24H2,(H,25,26)(H,27,28);2*(H,6,7)
InChI Key:
YWVTXDBSRJRRQV-UHFFFAOYSA-N
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
688.229g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
688.738g/mol
Monoisotopic Mass:
688.229g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
252A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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