Rel-tert-butyl ((2R,3R)-3,4-dihydroxybutan-2-yl)carbamate
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Basic information
- CAS
203933-47-5- Standard SMILES
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CO- InChIKey
LQZNGCKFWOIZCE-NKWVEPMBSA-N- Molecular formula
- C9H19NO4
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.13140809
Names & identifiers
- Preferred name
- Rel-tert-butyl ((2R,3R)-3,4-dihydroxybutan-2-yl)carbamate
- IUPAC
- tert-butyl N-[(2S,3S)-3,4-dihydroxybutan-2-yl]carbamate
- English name
- Carbamic acid, (2,3-dihydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester,
- Molecular formula
- C9H19NO4
- Molecular weight
- 205.25
Names & synonyms
203933-47-5Rel-tert-butyl ((2R,3R)-3,4-dihydroxybutan-2-yl)carbamateCarbamic acid, (2,3-dihydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester,Carbamic acid, (2,3-dihydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester, (R*,R*)- (9CI)
Database identifiers
- CAS
203933-47-5- PubChem CID
- 10932613
- Nikkaji
- J930.538F
Properties
Computed structural propertiesFilling in
- 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
- 365.411 · 365.411±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
- 12.042 · 12.042±0.46(predicted)
Related reactions
0 records
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Compound notes
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