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144581-19-1 | 9,13,18,22-Tetraoxa-3,6,25,28-tetrathiatriacontane-1,11,20,30-tetrol
CAS No: 144581-19-1 Catalog No: AG001JS4 MDL No:
Product Description
Catalog Number:
AG001JS4
Chemical Name:
9,13,18,22-Tetraoxa-3,6,25,28-tetrathiatriacontane-1,11,20,30-tetrol
CAS Number:
144581-19-1
Molecular Formula:
C22H46O8S4
Molecular Weight:
566.8558
IUPAC Name:
1-[2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethoxy]-3-[4-[2-hydroxy-3-[2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethoxy]propoxy]butoxy]propan-2-ol
InChI:
InChI=1S/C22H46O8S4/c23-3-9-31-13-15-33-11-7-29-19-21(25)17-27-5-1-2-6-28-18-22(26)20-30-8-12-34-16-14-32-10-4-24/h21-26H,1-20H2
InChI Key:
CDPDWZKIHRBSQJ-UHFFFAOYSA-N
SMILES:
OCCSCCSCCOCC(COCCCCOCC(COCCSCCSCCO)O)O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
566.208g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
566.842g/mol
Monoisotopic Mass:
566.208g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
219A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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