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English
(2R)-2,3-Dihydroxybutanedioic acid--(2R)-2-methylpiperazine (1/1)
group of stereoisomers with the chemical formula C₉H₁₈N₂O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
250.116486296
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₈N₂O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CNCCN1.O=C(O)C(O)C(O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]1CNCCN1.O=C(O)C(O)[C@@H](O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C5H12N2.C4H6O6/c1-5-4-6-2-3-7-5;5-1(3(7)8)2(6)4(9)10/h5-7H,2-4H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t5-;1-,2?/m11/s1
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InChIKey
LFFWDZALERPTKN-FQFSTRMDSA-N
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CAS Registry Number
126458-16-0
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PubChem CID
53486444
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
44262213
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30704903
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DSSTOX compound identifier
DTXCID60655651
0 references
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