CAS
428820-95-5 Purity
96%
428820-95-5 Purity
96%
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N-octyl-beta-D-thiogalactopyranoside
CAS
42891-16-7
Catalog Number
ACM42891167
Category
Other Products
Molecular Weight
308.44
Molecular Formula
C14H28O5S
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Specification
Synonyms
Octyl β-D-thiogalactopyranoside
IUPAC Name
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
Canonical SMILES
CCCCCCCCSC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11+,12+,13-,14+/m1/s1
InChI Key
CGVLVOOFCGWBCS-HTOAHKCRSA-N
Complexity
254
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
5
Exact Mass
308.16574516
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
4
Isomeric SMILES
CCCCCCCCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Monoisotopic Mass
308.16574516
Rotatable Bond Count
9
Topological Polar Surface Area
115 Ų
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