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91984-84-8 | Gallic acid 3-O-beta-D-glucopyranoside, Min.
CAS No: 91984-84-8 Catalog No: AG01FH2F MDL No:
Product Description
Catalog Number:
AG01FH2F
Chemical Name:
Gallic acid 3-O-beta-D-glucopyranoside, Min.
CAS Number:
91984-84-8
IUPAC Name:
3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
InChI:
InChI=1S/C13H16O10/c14-3-7-9(17)10(18)11(19)13(23-7)22-6-2-4(12(20)21)1-5(15)8(6)16/h1-2,7,9-11,13-19H,3H2,(H,20,21)/t7-,9-,10+,11-,13-/m1/s1
InChI Key:
XRCRYNCPNYQMOB-JEUROIALSA-N
Properties
Complexity:
418
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:
-1.7
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