Home Other Building Blocks 1-Galloyl-glucose

1-Galloyl-glucose

CAS No.:
13405-60-2
Catalog Number:
AG009BJJ
Molecular Formula:
C13H16O10
Molecular Weight:
332.2601
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Product Description
Catalog Number:
AG009BJJ
Chemical Name:
1-Galloyl-glucose
CAS Number:
13405-60-2
Molecular Formula:
C13H16O10
Molecular Weight:
332.2601
MDL Number:
MFCD11975493
IUPAC Name:
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate
InChI:
InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1
InChI Key:
GDVRUDXLQBVIKP-HQHREHCSSA-N
SMILES:
OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
UNII:
4X7JGS9BFY
Properties
Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
332.074g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
332.261g/mol
Monoisotopic Mass:
332.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Literature
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Inhibitory effects of ellagi- and gallotannins on rat intestinal alpha-glucosidase complexes. Bioscience, biotechnology, and biochemistry 20010301
Inhibitory effects of Egyptian folk medicines on human immunodeficiency virus (HIV) reverse transcriptase. Chemical & pharmaceutical bulletin 19950401
Properties