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167612-35-3 | β-L-Galactopyranoside, phenyl 6-deoxy-2,3,4-tris-O-(phenylmethyl)-1-thio-
CAS No: 167612-35-3 Catalog No: AG001XHF MDL No:
Product Description
Catalog Number:
AG001XHF
Chemical Name:
β-L-Galactopyranoside, phenyl 6-deoxy-2,3,4-tris-O-(phenylmethyl)-1-thio-
CAS Number:
167612-35-3
Molecular Formula:
C33H34O4S
Molecular Weight:
526.6857
IUPAC Name:
(2S,3R,4S,5S,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane
InChI:
InChI=1S/C33H34O4S/c1-25-30(34-22-26-14-6-2-7-15-26)31(35-23-27-16-8-3-9-17-27)32(36-24-28-18-10-4-11-19-28)33(37-25)38-29-20-12-5-13-21-29/h2-21,25,30-33H,22-24H2,1H3/t25-,30+,31-,32-,33+/m0/s1
InChI Key:
WGAOZACWMVPQOY-NBOLALRDSA-N
SMILES:
C[C@@H]1O[C@H](Sc2ccccc2)[C@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
526.218g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
526.691g/mol
Monoisotopic Mass:
526.218g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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