1,2-Benzenediol, 4-[(1S)-2-amino-1-hydroxyethyl]-,(2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)


Chemical Name: 1,2-Benzenediol, 4-[(1S)-2-amino-1-hydroxyethyl]-,(2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)
CAS Number: 636-88-4
Product Number: AG003CI1(AGN-PC-0T9IGR)
Synonyms:
MDL No:
Molecular Formula: C12H17NO9
Molecular Weight: 319.2647

Identification/Properties


Properties
MP:
>160°C (dec.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
319.266g/mol
Hydrogen Bond Donor Count:
8
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
5
Exact Mass:
319.09g/mol
Monoisotopic Mass:
319.09g/mol
Topological Polar Surface Area:
202A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
276
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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