Home Aldehydes Benzaldehyde, 2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-

Benzaldehyde, 2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-

CAS No.:
14581-83-0
Catalog Number:
AG001DG7
Molecular Formula:
C21H24O11
Molecular Weight:
452.4087
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Product Description
Catalog Number:
AG001DG7
Chemical Name:
Benzaldehyde, 2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-
CAS Number:
14581-83-0
Molecular Formula:
C21H24O11
Molecular Weight:
452.4087
MDL Number:
MFCD08704116
IUPAC Name:
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-formylphenoxy)oxan-2-yl]methyl acetate
InChI:
InChI=1S/C21H24O11/c1-11(23)27-10-17-18(28-12(2)24)19(29-13(3)25)20(30-14(4)26)21(32-17)31-16-8-6-5-7-15(16)9-22/h5-9,17-21H,10H2,1-4H3/t17-,18-,19+,20-,21-/m1/s1
InChI Key:
PCBZIIGBXBDLBK-YMQHIKHWSA-N
SMILES:
O=Cc1ccccc1O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
706  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
452.132g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.412g/mol
Monoisotopic Mass:
452.132g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and evaluation of 5-benzylidene(thio)barbiturate-beta-D-glycosides as mushroom tyrosinase inhibitors. Bioorganic & medicinal chemistry letters 20090801
Properties