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Compound
Prop-2-enyl 4-methylsulfonyloxy-2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylate
HCID
19971397
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
C=CCOC(=O)N1CC(OS(C)(=O)=O)CC1CCOS(C)(=O)=O
InChIKey
PLRZEOPXSXHUIL-UHFFFAOYSA-N
Molecular formula
C12H21NO8S2
Average molar mass
371.4 g/mol
Monoisotopic mass
371.07085898
Names & identifiers
Preferred name
Prop-2-enyl 4-methylsulfonyloxy-2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylate
IUPAC
prop-2-enyl 4-methylsulfonyloxy-2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL9213704
Database identifiers
PubChem CID
19971397
Properties
Computed structural properties
XLogP
0.2
Topological polar surface area
133 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
23
Formal charge
0
Complexity
616
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Related reactions
6 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
173675
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
213907
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
803966
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
935322
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1207587
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1569649
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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