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(Q83018483)
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English
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R-(2alpha,3beta,4beta))-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
147.089543276
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2S,3S,4S)-
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-
1 reference
based on heuristic
inferred from InChI
chemical formula
C₆H₁₃NO₃
0 references
canonical SMILES
CN1CC(O)C(O)C1CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1C[C@@H]([C@@H]([C@H]1CO)O)O
0 references
Identifiers
InChI
InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3/t4-,5+,6-/m1/s1
0 references
InChIKey
UBVOJPDDTVFNFJ-NGJCXOISSA-N
0 references
CAS Registry Number
117894-16-3
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PubChem CID
452008
1 reference
matched by identifier from
InChIKey
InChIKey
UBVOJPDDTVFNFJ-NGJCXOISSA-N
UniChem compound ID
25657885
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20151942
1 reference
matched by identifier from
InChIKey
InChIKey
UBVOJPDDTVFNFJ-NGJCXOISSA-N
DSSTOX compound identifier
DTXCID4074433
0 references
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