Fmoc-D-4-Pyridylalanine
Basic information
- CAS
205528-30-9- Standard SMILES
O=C(N[C@H](Cc1ccncc1)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
SCSSXJVRZMQUKA-OAQYLSRUSA-N- Molecular formula
- C23H20N2O4
- Average molar mass
- 388.4 g/mol
Names & identifiers
- Preferred name
- Fmoc-D-4-Pyridylalanine
- IUPAC
- (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
- English name
- Fmoc-3-(4-pyridyl)-D-alanine
- Molecular formula
- C23H20N2O4
- Molecular weight
- 388.42
Names & synonyms
205528-30-9Fmoc-D-4-PyridylalanineRefChem:599528695-864-4Fmoc-D-4-Pal-OHFmoc-3-(4-pyridyl)-D-alanine(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-4-yl)propanoic acidMFCD00672567(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acidFMOC-D-ALA(4-PYRI)-OHFmoc-|A-(4-pyridyl)-D-Ala-OH(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-pyridyl)propanoic acid
Show more names
FMOC-D-4-PALFmoc-4-D-Pal-OHRARECHEM BK PT 0244FMOC-D-4-PYRIDYLALAFMOC-4'-PYRIDYL-D-ALAFMOC-D-ALA(4-PYRIDYL)-OHFMOC-D-ALA(4'-PYRIDYL)-OH
AKOS015891687CS-W009739PS-12137EN300-650117F123124-Pyridinepropanoic acid, alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (alphaR)-AMY353Fmoc- beta -(4-pyridyl)-D-Ala-OH
Database identifiers
- CAS
205528-30-9- PubChem CID
- 978323
- EC Number
- 695-864-4
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Boiling point
- 646.9 · 646.9±55.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- Solid
- pka
- 3.32 · 3.32±0.10(Predicted)
- color
- White to off-white
- Major Application
- peptide synthesis
- InChI
- 1S/C23H20N2O4/c26-22(27)21(13-15-9-11-24-12-10-15)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13-14H2,(H,25,28)(H,26,27)/t21-/m1/s1
- InChIKey
- SCSSXJVRZMQUKA-OAQYLSRUSA-N
- SMILES
- OC(=O)[C@@H](Cc1ccncc1)NC(=O)OCC2c3ccccc3-c4ccccc24
- CAS DataBase Reference
- 205528 · 205528-30-9(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29333990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN-Fmoc-3-(4-pyridyl)-D-alanine is an Fmoc protected alanine derivative that is potentially useful for proteomics studies and solid phase peptide synthesis techniques.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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