tert-butyl N-[(2S,3R)-1,3-dihydroxybutan-2-yl]carbamate
Basic information
- CAS
2639374-88-0- Standard SMILES
C[C@@H](O)[C@H](CO)NC(=O)OC(C)(C)C- InChIKey
ZRYCVLSBSJEPCJ-RQJHMYQMSA-N- Molecular formula
- C9H19NO4
- Average molar mass
- 205.25 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[(2S,3R)-1,3-dihydroxybutan-2-yl]carbamate
- IUPAC
- tert-butyl N-[(2S,3R)-1,3-dihydroxybutan-2-yl]carbamate
- English name
- Boc-(2S,3S)-2-amino-3-hydroxy-1-butanol
- Molecular formula
- C9H19NO4
- Molecular weight
- 205.25
Names & synonyms
SCHEMBL15215102EN300-28228619tert-butyl N-[(2S,3R)-1,3-dihydroxybutan-2-yl]carbamateN-BOC-D-THREONINOLBoc-(2S,3S)-2-amino-3-hydroxy-1-butanol
Database identifiers
- CAS
2639374-88-0
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 366.75 · 366.750±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.896 · 11.896±0.46(predicted)
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Compound notes
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