Basic information
- CAS
95687-42-6- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3)CN2C(=O)OCc2ccccc2)cc1- InChIKey
AKRRZBQIGJJBFF-BJKOFHAPSA-N- Molecular formula
- C27H29NO8S2
- Average molar mass
- 559.7 g/mol
- Monoisotopic mass
- 559.13345923
Names & identifiers
- Preferred name
- (2S,4R)-benzyl 4-(tosyloxy)-2-((tosyloxy)methyl)pyrrolidine-1-carboxylate
- IUPAC
- benzyl (2S,4R)-4-(4-methylphenyl)sulfonyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL9587450AKRRZBQIGJJBFF-BJKOFHAPSA-NDTXSID701104830(2S,4R)-benzyl 4-(tosyloxy)-2-((tosyloxy)methyl)pyrrolidine-1-carboxylateAKOS00027839795687-42-6(2S,4R)-1-(Carbobenzyloxy)-2-(4-toluenesulfonyloxymeth- yl)-4-(4-toluenesulfonyloxy)-pyrrolidine(2S,4R)-1-(Carbobenzyloxy)-2-(4-toluenesulfonyloxymethyl)-4-(4-toluenesulfonyloxy)-pyrrolidine(2S,4R)-1-(carbobenzyloxy)-2-(p-toluenesulfonyloxymeth- yl)-4-(4-toluenesulfonyloxy)-pyrrolidine(2S,4R)-1-(carbobenzyloxy)-2-(p-toluenesulfonyloxymethyl)-4-(4-toluenesulfonyloxy)-pyrrolidinePhenylmethyl (2S,4R)-4-[[(4-methylphenyl)sulfonyl]oxy]-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-pyrrolidinecarboxylate
Database identifiers
- CAS
95687-42-6- PubChem CID
- 14994792
- DTXSID
DTXSID701104830
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 968
Related reactions
5 records
Compound notes
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