Fmoc-L-3-(3-Thienyl)alanine
Basic information
- CAS
186320-06-9- Standard SMILES
O=C(N[C@@H](Cc1ccsc1)C(=O)[O-])OCC1c2ccccc2-c2ccccc21- InChIKey
LSBZJMRHROCYGY-FQEVSTJZSA-M- Molecular formula
- C22H18NO4S-
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.09565423
Names & identifiers
- Preferred name
- Fmoc-L-3-(3-Thienyl)alanine
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoate
- English name
- (S)-N-Fmoc-3-Thienylalanine
- Molecular formula
- C22H19NO4S
- Molecular weight
- 393.46
Names & synonyms
Fmoc-L-3-(3-Thienyl)alanineDTXSID709400602-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-3-(thiophen-3-yl)propanoate(2S)-2-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-3-(thiophen-3-yl)propanoateFMOC-L-3-THIENYLALANINEfmoc-β-(3-thienyl)-ala-ohFmoc-β-(3-thienyl)-Ala-OH(S)-2-((((9H-Fluoren-9-yl)Methoxy)carbonyl)aMino)-3-(thiophen-3-yl)propanoic acidFmoc-3-TAFMOC-L-3-THIFmoc-3-Thi-OHFMOC-(3)THG-OH
Show more names
RARECHEM BK PT 0217FMOC-ALA(3-THIENYL)-OH
Database identifiers
- CAS
186320-06-9- PubChem CID
- 7130645
- DTXSID
DTXSID70940060
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- -1
- Complexity
- 543
Physicochemical properties
- Melting point
- 188.4 °C · 188.4 °C
- Boiling point
- 626.3 · 626.3±55.0 °C(Predicted)
- Density
- 1.2174 · 1.2174 (rough estimate)
- refractive index
- 1.506 · 1.5060 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 3.74 · 3.74±0.10(Predicted)
- form
- solid
- color
- Pale yellow
- optical activity
- -32.8 ° · -32.8° (C=1.00 g/100ml, DMF)
- CAS DataBase Reference
- 186320 · 186320-06-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H402
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Safety Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H402
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesFmoc-3-Ala(3-thienyl)-OH is an alanine derivative[1].
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Compound notes
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