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(Q82648291)
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English
(1xi)-1,5-Anhydro-1-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-D-glucitol
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
444.1406731200001
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₅FO₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1ccc(C2OC(CO)C(O)C(O)C2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cc1ccc(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24?/m1/s1
0 references
InChIKey
XTNGUQKDFGDXSJ-KKEQRHKBSA-N
0 references
CAS Registry Number
1028977-37-8
0 references
PubChem CID
54591642
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
30315135
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00712373
0 references
DSSTOX compound identifier
DTXCID00663119
0 references
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