Home Other Building Blocks Phenyl 1-thio-beta-d-galactopyranoside

Phenyl 1-thio-beta-d-galactopyranoside

CAS No.:
16758-34-2
Catalog Number:
AG001XGW
Molecular Formula:
C12H16O5S
Molecular Weight:
272.3174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 99% (HPLC)
1 week
United States
$118
- +
1g
≥ 99% (HPLC)
1 week
United States
$199
- +
5g
≥ 99% (HPLC)
1 week
United States
$681
- +
10g
≥ 99% (HPLC)
1 week
United States
$1295
- +
Product Description
Catalog Number:
AG001XGW
Chemical Name:
Phenyl 1-thio-beta-d-galactopyranoside
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
Properties