68539-16-2

Name (-)-Diacetone-2-keto-L-gulonic acid monohydrate
CAS 68539-16-2
Molecular Formula C12H20O8
MDL Number MFCD00150517
Molecular Weight 292.28
MOL File 68539-16-2.mol

Chemical Properties

Melting point  88-90 °C(lit.)
alpha  -20 º (c=2 in methanol)
refractive index  -20 ° (C=2, MeOH)
storage temp.  2-8°C
form  powder to crystal
color  White to Light yellow
Optical Rotation [α]21/D 20°, c = 2 in methanol
Merck  14,3199
InChI InChI=1/C12H18O7.H2O/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);1H2/t6-,7+,8-,12+;/s3
InChIKey ZFQRGFMVXLSLKZ-ZYRLPJSWNA-N
SMILES C([C@]12OC(C)(C)O[C@@]1([H])[C@]1([H])OC(C)(C)OC[C@]1([H])O2)(=O)O.O |&1:1,7,9,17,r|
CAS DataBase Reference 68539-16-2

Safety Data

Safety Statements 
WGK Germany  3
HS Code  2940000080

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