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107802-80-2

107802-80-2 | (2S,3R,4R,5S,6R)-3,4,5-Tris(benzyloxy)-2-methyl-6-(methylthio)tetrahydro-2H-pyran

CAS No: 107802-80-2 Catalog No: AG003RLF MDL No:MFCD06797141

Product Description

Catalog Number:
AG003RLF
Chemical Name:
(2S,3R,4R,5S,6R)-3,4,5-Tris(benzyloxy)-2-methyl-6-(methylthio)tetrahydro-2H-pyran
CAS Number:
107802-80-2
Molecular Formula:
C28H32O4S
Molecular Weight:
464.6163
MDL Number:
MFCD06797141
IUPAC Name:
(2S,3R,4R,5S,6R)-2-methyl-6-methylsulfanyl-3,4,5-tris(phenylmethoxy)oxane
InChI:
InChI=1S/C28H32O4S/c1-21-25(29-18-22-12-6-3-7-13-22)26(30-19-23-14-8-4-9-15-23)27(28(32-21)33-2)31-20-24-16-10-5-11-17-24/h3-17,21,25-28H,18-20H2,1-2H3/t21-,25+,26+,27-,28+/m0/s1
InChI Key:
DENOSPOKQXYGTJ-NNVCNDCRSA-N
SMILES:
CS[C@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1

Properties

Complexity:
528  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
464.202g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.62g/mol
Monoisotopic Mass:
464.202g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

Literature

Title Journal
Regioselective synthesis of a glycomimetic trisaccharide of Sialyl Lewis (sLex). Carbohydrate research 20090217

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