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16758-34-2 | β-D-Galactopyranoside, phenyl 1-thio-
CAS No: 16758-34-2 Catalog No: AG001XGW MDL No:MFCD00063272
Product Description
Catalog Number:
AG001XGW
Chemical Name:
β-D-Galactopyranoside, phenyl 1-thio-
CAS Number:
16758-34-2
Molecular Formula:
C12H16O5S
Molecular Weight:
272.3174
MDL Number:
MFCD00063272
IUPAC Name:
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
InChI:
InChI=1S/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12+/m1/s1
InChI Key:
OVLYAISOYPJBLU-IIRVCBMXSA-N
SMILES:
OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H]([C@H]([C@H]1O)O)O
EC Number:
240-818-7
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
272.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
272.315g/mol
Monoisotopic Mass:
272.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Synthesis of a phenyl thio-beta-D-galactopyranoside library from 1,5-difluoro-2,4-dinitrobenzene: discovery of efficient and selective monosaccharide inhibitors of galectin-7. | Organic & biomolecular chemistry 20050521 |
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