Home Halogens 2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl Trichloroacetimidate

2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl Trichloroacetimidate

CAS No.:
74808-10-9
Catalog Number:
AG005SXS
Molecular Formula:
C16H20Cl3NO10
Molecular Weight:
492.6897
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Product Description
Catalog Number:
AG005SXS
Chemical Name:
2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl Trichloroacetimidate
CAS Number:
74808-10-9
Molecular Formula:
C16H20Cl3NO10
Molecular Weight:
492.6897
MDL Number:
MFCD07369653
IUPAC Name:
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C16H20Cl3NO10/c1-6(21)25-5-10-11(26-7(2)22)12(27-8(3)23)13(28-9(4)24)14(29-10)30-15(20)16(17,18)19/h10-14,20H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1
InChI Key:
IBUZGVQIKARDAF-RKQHYHRCSA-N
SMILES:
CC(=O)OC[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
695  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
491.015g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
492.683g/mol
Monoisotopic Mass:
491.015g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Selective formation of glycosidic linkages of N-unsubstituted 4-hydroxyquinolin-2-(1H)-ones. Carbohydrate research 20100419
Properties