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(Q70000053)
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English
diacetone-D-glucose
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
260.12598836
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₂₀O₆
0 references
canonical SMILES
CC1(C)OCC(C2OC3OC(C)(C)OC3C2O)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O)C
0 references
melting point
109.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10,13H,5H2,1-4H3/t6?,7-,8+,9+,10+/m0/s1
0 references
InChIKey
KEJGAYKWRDILTF-DEMCRKGTSA-N
0 references
CAS Registry Number
582-52-5
0 references
PubChem CID
2723618
0 references
UniChem compound ID
22846914
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80889355
0 references
DSSTOX compound identifier
DTXCID401028617
0 references
NSC number
1223
0 references
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