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130727-44-5 | 3,6,9,12,15,18-Hexaoxanonacosan-1-ol, 29-mercapto-
CAS No: 130727-44-5 Catalog No: AG000UVK MDL No:
Product Description
Catalog Number:
AG000UVK
Chemical Name:
3,6,9,12,15,18-Hexaoxanonacosan-1-ol, 29-mercapto-
CAS Number:
130727-44-5
Molecular Formula:
C23H48O7S
Molecular Weight:
468.6880
IUPAC Name:
2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
InChI:
InChI=1S/C23H48O7S/c24-10-12-26-14-16-28-18-20-30-22-21-29-19-17-27-15-13-25-11-8-6-4-2-1-3-5-7-9-23-31/h24,31H,1-23H2
InChI Key:
QYKSUHRPPSCIFK-UHFFFAOYSA-N
SMILES:
SCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.312g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
468.69g/mol
Monoisotopic Mass:
468.312g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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