Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1OS(C)(=O)=O- InChIKey
CGXCOKLWNSZOMM-QWHCGFSZSA-N- Molecular formula
- C15H21NO5S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.11404394
Names & identifiers
- Preferred name
- (1R,2s)-1-(tert-butoxycarbonylamino)-2,3-dihydro-1H-inden-2-yl methanesulfonate
- IUPAC
- [(1R,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-2-yl] methanesulfonate
Names & synonyms
403860-49-1(1R,2s)-1-(tert-butoxycarbonylamino)-2,3-dihydro-1H-inden-2-yl methanesulfonateMFCD30491324SCHEMBL3327416CGXCOKLWNSZOMM-QWHCGFSZSA-NCis-1-[(1,1-dimethylethoxy)carbonylamino]-2-methanesulphonyloxyindan(1R,2S)-1-(t-Butoxycarbonylamino)-2,3-dihydro-1H-inden-2-yl methanesulfonate(1R,2s)-1-(tert-butoxycarbonylamino)-2,3-dihydro-1H-inden-2-ylmethanesulfonate
Database identifiers
- PubChem CID
- 86338034
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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