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23445-11-6 | β-D-Glucopyranose, 1-(2,5-dihydroxybenzoate)
CAS No: 23445-11-6 Catalog No: AG002N9B MDL No:
Product Description
Catalog Number:
AG002N9B
Chemical Name:
β-D-Glucopyranose, 1-(2,5-dihydroxybenzoate)
CAS Number:
23445-11-6
IUPAC Name:
(3R,4S,5R,6R)-1-(2,5-dihydroxyphenyl)-3,4,5,6,7-pentahydroxyheptane-1,2-dione
InChI:
InChI=1S/C13H16O9/c14-4-8(17)10(19)12(21)13(22)11(20)9(18)6-3-5(15)1-2-7(6)16/h1-3,8,10,12-17,19,21-22H,4H2/t8-,10-,12+,13+/m1/s1
InChI Key:
JJFJJRBFAPFIBU-JBYGLJPXSA-N
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
316.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
316.262g/mol
Monoisotopic Mass:
316.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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