(R)-4-((Benzyloxy)carbonyl)thiomorpholine-3-carboxylic acid
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Basic information
- CAS
114580-22-2- Standard SMILES
O=C(O)[C@@H]1CSCCN1C(=O)OCc1ccccc1- InChIKey
HMXFICHATDLTHT-NSHDSACASA-N- Molecular formula
- C13H15NO4S
- Average molar mass
- 281.33 g/mol
Names & identifiers
- Preferred name
- (R)-4-((Benzyloxy)carbonyl)thiomorpholine-3-carboxylic acid
- IUPAC
- (3R)-4-phenylmethoxycarbonylthiomorpholine-3-carboxylic acid
- English name
- (R)-4-Cbz-thiomorpholine-3-carboxylic acid
- Molecular formula
- C13H15NO4S
- Molecular weight
- 281.33
Names & synonyms
114580-22-2(R)-4-CBZ-THIOMORPHOLINE-3-CARBOXYLIC ACID(R)-4-((Benzyloxy)carbonyl)thiomorpholine-3-carboxylic acidMFCD04114905(3R)-4-phenylmethoxycarbonylthiomorpholine-3-carboxylic acidC13H15NO4S(R)-4-(benzyloxycarbonyl)thiomorpholine-3-carboxylic acid(R)-4-Z-thiomorpholine-3-carboxylic acidAKOS024260388CS-0005339G85337(3R)-4-benzyloxycarbonylthiomorpholine-3-carboxylic acid
Show more names
(S)-4-(benzyloxycarbonyl)thioMorpholine-3-carboxylic acid
(R)-4-((Benzyloxy)carbonyl)thiomorpholine-3-carboxylicacid3,4-Thiomorpholinedicarboxylic acid, 4-(phenylmethyl) ester, (R)- (9CI)
Database identifiers
- CAS
114580-22-2
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 491.077 · 491.077±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.512 · 3.512±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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