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English
1-O-[Methyl(phenyl)amino]hexopyranuronic acid
group of stereoisomers with the chemical formula C₁₃H₁₇NO₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
299.10050188400004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₇NO₇
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN(OC1OC(C(=O)O)C(O)C(O)C1O)c1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN(OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H17NO7/c1-14(7-5-3-2-4-6-7)21-13-10(17)8(15)9(16)11(20-13)12(18)19/h2-6,8-11,13,15-17H,1H3,(H,18,19)/t8-,9-,10+,11-,13?/m0/s1
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InChIKey
VACCKVAFFPKLAN-NJMOVEGISA-N
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CAS Registry Number
121054-06-6
0 references
PubChem CID
129346
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
64700969
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00923649
0 references
DSSTOX compound identifier
DTXCID001352498
0 references
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