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16714-07-1

16714-07-1 | α-D-Galactopyranose, 1,2:3,4-bis-O-(1-methylethylidene)-6-thio-

CAS No: 16714-07-1 Catalog No: AG001X57 MDL No:MFCD08448091

Product Description

Catalog Number:
AG001X57
Chemical Name:
α-D-Galactopyranose, 1,2:3,4-bis-O-(1-methylethylidene)-6-thio-
CAS Number:
16714-07-1
Molecular Formula:
C12H20O5S
Molecular Weight:
276.3492
MDL Number:
MFCD08448091
IUPAC Name:
[(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanethiol
InChI:
InChI=1S/C12H20O5S/c1-11(2)14-7-6(5-18)13-10-9(8(7)15-11)16-12(3,4)17-10/h6-10,18H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1
InChI Key:
AGGBVTQMMNRHMZ-SOYHJAILSA-N
SMILES:
SC[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

Properties

Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
276.103g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.347g/mol
Monoisotopic Mass:
276.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Literature

Title Journal
Synthesis of non-glycosidic 4,6'-thioether-linked disaccharides as hydrolytically stable glycomimetics. Carbohydrate research 20070903

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