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210049-17-5 | β-D-Glucopyranosiduronic acid, 2-aminophenyl, hydrochloride (9CI)
CAS No: 210049-17-5 Catalog No: AG002KJK MDL No:
Product Description
Catalog Number:
AG002KJK
Chemical Name:
β-D-Glucopyranosiduronic acid, 2-aminophenyl, hydrochloride (9CI)
CAS Number:
210049-17-5
Molecular Formula:
C12H16ClNO7
Molecular Weight:
321.7109
IUPAC Name:
(3S,4S,5S,6S)-6-(2-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H15NO7.ClH/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18;/h1-4,7-10,12,14-16H,13H2,(H,17,18);1H/t7-,8-,9-,10?,12+;/m0./s1
InChI Key:
URGDEQRHHDUHCP-BRGOTAQXSA-N
SMILES:
OC(=O)[C@H]1O[C@@H](Oc2ccccc2N)[C@@H]([C@H]([C@@H]1O)O)O.Cl
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
321.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
321.71g/mol
Monoisotopic Mass:
321.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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