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Prop-2-enyl 4-methylsulfonyloxy-2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylate

HCID 19971397
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Basic informationNames & identifiersPropertiesRelated reactionsCompound 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

Related reactions

6 records
New reaction record
HRID 173675 reaction equation
HRID 173675As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 213907 reaction equation
HRID 213907As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 803966 reaction equation
HRID 803966As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 935322 reaction equation
HRID 935322As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1207587 reaction equation
HRID 1207587As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1569649 reaction equation
HRID 1569649As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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