Basic information
- CAS
119880-05-6- Standard SMILES
CC(C)(C)OC(=O)N1CC(COS(C)(=O)=O)c2ccc(O)cc21- InChIKey
YBIFXPUUHIBODV-UHFFFAOYSA-N- Molecular formula
- C15H21NO6S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.10895856
Names & identifiers
- Preferred name
- (+-)-2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 6-hydroxy-3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate
Names & synonyms
119880-05-6RefChem:203716(+-)-2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester(+/-)-2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indole-1-carboxylic acid 1,1-dimethylethyl esterCHEMBL1964795DTXSID30923132NSC676515NSC-676515NCI60_0270811-[(t-Butyloxy)carbonyl]-6-hydroxy-3-{[(methanesulfonyl)-oxy]methyl}indolinetert-Butyl 6-hydroxy-3-{[(methanesulfonyl)oxy]methyl}-2,3-dihydro-1H-indole-1-carboxylate
Database identifiers
- CAS
119880-05-6- PubChem CID
- 147453
- DTXSID
DTXSID30923132- ChEMBL
CHEMBL1964795
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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