(R)-1,2,4-Triacetoxybutane
Basic information
- CAS
52067-45-5- Standard SMILES
CC(=O)OCC[C@@H](COC(C)=O)OC(C)=O- InChIKey
RPOOYSKKKVGNAP-JTQLQIEISA-N- Molecular formula
- C10H16O6
- Average molar mass
- 232.23 g/mol
Names & identifiers
- Preferred name
- (R)-1,2,4-Triacetoxybutane
- IUPAC
- [(3S)-3,4-diacetyloxybutyl] acetate
- English name
- (S)-1,2,4-Triacetoxybutane
- Molecular formula
- C10H16O6
- Molecular weight
- 232.23
Names & synonyms
52067-45-5(R)-1,2,4-TRIACETOXYBUTANE(S)-1,2,4-Triacetoxybutane1,2,4-BUTANETRIOL, TRIACETATE, (S)1,2,4-Butanetriol, triacetate, (S)- (9CI)
Database identifiers
- CAS
52067-45-5- Nikkaji
- J786.508B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 298.1 · 298.1±25.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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