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82205-96-7 | 2,19-Dioxa-5,16-dithiaicosanedioic acid bis(3-pyridinylmethyl) ester
CAS No: 82205-96-7 Catalog No: AG00GPZV MDL No:
Product Description
Catalog Number:
AG00GPZV
Chemical Name:
2,19-Dioxa-5,16-dithiaicosanedioic acid bis(3-pyridinylmethyl) ester
CAS Number:
82205-96-7
IUPAC Name:
2-[10-[2-(pyridin-3-ylmethoxycarbonyloxy)ethylsulfanyl]decylsulfanyl]ethyl pyridin-3-ylmethyl carbonate
InChI:
InChI=1S/C28H40N2O6S2/c31-27(35-23-25-11-9-13-29-21-25)33-15-19-37-17-7-5-3-1-2-4-6-8-18-38-20-16-34-28(32)36-24-26-12-10-14-30-22-26/h9-14,21-22H,1-8,15-20,23-24H2
InChI Key:
LYANFGHLJLNUSI-UHFFFAOYSA-N
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.233g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
564.756g/mol
Monoisotopic Mass:
564.233g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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