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(Q82599170)
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English
(4xi)-6-O-(4-Methylbenzene-1-sulfonyl)-2,3-O-(1-methylethylidene)-alpha-L-threo-hex-2-ulofuranose
group of stereoisomers with the chemical formula C₁₆H₂₂O₈S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
374.1035386639999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₂O₈S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1ccc(S(=O)(=O)OCC2OC3(CO)OC(C)(C)OC3C2O)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@]3(CO)OC(C)(C)O[C@@H]3C2O)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H22O8S/c1-10-4-6-11(7-5-10)25(19,20)21-8-12-13(18)14-16(9-17,22-12)24-15(2,3)23-14/h4-7,12-14,17-18H,8-9H2,1-3H3/t12-,13?,14+,16-/m0/s1
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InChIKey
BPANMSDDTZZEDD-RUKJTKARSA-N
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CAS Registry Number
2484-54-0
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PubChem CID
46783616
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
65886540
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40676248
0 references
DSSTOX compound identifier
DTXCID10626997
0 references
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