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85618-19-5 | Hexyl β-D-Thioglucopyranoside
CAS No: 85618-19-5 Catalog No: AG004TO2 MDL No:MFCD00270004
Product Description
Catalog Number:
AG004TO2
Chemical Name:
Hexyl β-D-Thioglucopyranoside
CAS Number:
85618-19-5
Molecular Formula:
C12H24O5S
Molecular Weight:
280.3810
MDL Number:
MFCD00270004
IUPAC Name:
(2S,3R,4S,5S,6R)-2-hexylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C12H24O5S/c1-2-3-4-5-6-18-12-11(16)10(15)9(14)8(7-13)17-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12+/m1/s1
InChI Key:
ATFNYTMEOCLMPS-ZIQFBCGOSA-N
SMILES:
CCCCCCS[C@@H]1OC(CO)[C@H]([C@@H](C1O)O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
280.134g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
280.379g/mol
Monoisotopic Mass:
280.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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