Basic information
- CAS
914498-28-5- Standard SMILES
CC1(C)OC[C@H](COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)OCc1ccccc1- InChIKey
VRKBWOCZGWYWPB-QGZVFWFLSA-N- Molecular formula
- C20H22N2O8S
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.10968666
Names & identifiers
- Preferred name
- Phenylmethyl (4R)-2,2-dimethyl-4-((((4-nitrophenyl)sulfonyl)oxy)methyl)-3-oxazolidinecarboxylate
- IUPAC
- benzyl (4R)-2,2-dimethyl-4-[(4-nitrophenyl)sulfonyloxymethyl]-1,3-oxazolidine-3-carboxylate
Names & synonyms
914498-28-5Phenylmethyl (4R)-2,2-dimethyl-4-[[[(4-nitrophenyl)sulfonyl]oxy]methyl]-3-oxazolidinecarboxylatePhenylmethyl (4R)-2,2-dimethyl-4-((((4-nitrophenyl)sulfonyl)oxy)methyl)-3-oxazolidinecarboxylateRefChem:369864SCHEMBL2156340VRKBWOCZGWYWPB-QGZVFWFLSA-NDTXSID701116920benzyl (4R)-2,2-dimethyl-4-({[(4-nitrophenyl)sulfonyl]oxy}methyl)-1,3-oxazolidine-3-carboxylateBenzyl (4R)-2,2-dimethyl-4-{[(4-nitrobenzene-1-sulfonyl)oxy]methyl}-1,3-oxazolidine-3-carboxylate
Database identifiers
- CAS
914498-28-5- PubChem CID
- 86629786
- DTXSID
DTXSID701116920
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 731
Related reactions
1 records
Compound notes
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