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20721-62-4 | β-D-Galactopyranoside, 4-isothiocyanatophenyl
CAS No: 20721-62-4 Catalog No: AG002IWK MDL No:
Product Description
Catalog Number:
AG002IWK
Chemical Name:
β-D-Galactopyranoside, 4-isothiocyanatophenyl
CAS Number:
20721-62-4
Molecular Formula:
C13H15NO6S
Molecular Weight:
313.3263
IUPAC Name:
2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxane-3,4,5-triol
InChI:
InChI=1S/C13H15NO6S/c15-5-9-10(16)11(17)12(18)13(20-9)19-8-3-1-7(2-4-8)14-6-21/h1-4,9-13,15-18H,5H2
InChI Key:
RWANFUZQWINQBY-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2)N=C=S)[C@@H]([C@H]([C@H]1O)O)O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
313.324g/mol
Monoisotopic Mass:
313.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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