Basic information
- Standard SMILES
CC(C)(C)OC(=O)CC(=O)C[C@H](O)CO- InChIKey
IWESSOIVTTYRNX-QMMMGPOBSA-N- Molecular formula
- C10H18O5
- Average molar mass
- 218.25 g/mol
Names & identifiers
- Preferred name
- (5S)-5,6-dihydroxy-3-oxohexanoic tert-butyl ester
- IUPAC
- tert-butyl (5S)-5,6-dihydroxy-3-oxohexanoate
Names & synonyms
SCHEMBL1135983IWESSOIVTTYRNX-QMMMGPOBSA-N(5S)-5,6-dihydroxy-3-oxohexanoic tert-butyl ester
Database identifiers
- PubChem CID
- 11401693
- Nikkaji
- J2.149.368F
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Related reactions
3 records
Compound notes
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