1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate
Basic information
- CAS
59866-14-7- Standard SMILES
CC(C)(C)NCC(COc1cccc2c1-c1ccccc1C2=O)OC(=O)C(C)(C)C.O=C(O)CC(=O)O- InChIKey
DGKJZCSWFYUWMP-UHFFFAOYSA-N- Molecular formula
- C28H35NO8
- Average molar mass
- 513.6 g/mol
- Monoisotopic mass
- 513.23626707
Names & identifiers
- Preferred name
- 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate
- IUPAC
- [1-(tert-butylamino)-3-(9-oxofluoren-4-yl)oxypropan-2-yl] 2,2-dimethylpropanoate;propanedioic acid
- English name
- LL 21-945
- Molecular formula
- C28H35NO8
- Molecular weight
- 513.5794
Names & synonyms
DTXSID209752661-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-yl pivalate malonate1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonatePropanedioic acid--1-(tert-butylamino)-3-[(9-oxo-9H-fluoren-4-yl)oxy]propan-2-yl 2,2-dimethylpropanoate (1/1)LL 21-945
Database identifiers
- CAS
59866-14-7- PubChem CID
- 173702
- DTXSID
DTXSID20975266
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 701
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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