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207728-71-0 | β-D-Glucopyranosiduronic acid, 8-quinolinyl, monosodium salt (9CI)
CAS No: 207728-71-0 Catalog No: AG002J8T MDL No:MFCD02683911
Product Description
Catalog Number:
AG002J8T
Chemical Name:
β-D-Glucopyranosiduronic acid, 8-quinolinyl, monosodium salt (9CI)
CAS Number:
207728-71-0
Molecular Formula:
C15H14NNaO7
Molecular Weight:
343.2639
MDL Number:
MFCD02683911
IUPAC Name:
sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylate
InChI:
InChI=1S/C15H15NO7.Na/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-1-3-7-4-2-6-16-9(7)8;/h1-6,10-13,15,17-19H,(H,20,21);/q;+1/p-1/t10-,11-,12+,13-,15+;/m0./s1
InChI Key:
QYRMLNFJXNJXLO-KSOKONAESA-M
SMILES:
[O-]C(=O)[C@H]1O[C@@H](Oc2cccc3c2nccc3)[C@@H]([C@H]([C@@H]1O)O)O.[Na+]
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
343.067g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.267g/mol
Monoisotopic Mass:
343.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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