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Fmoc-O-trityl-L-serine
- Iupac Name：(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoic acid
- CAS No.: 111061-56-4
- Molecular Weight：569.657
- Modify Date.: 2023-02-13 23:08
- Introduction:
Fmoc-O-trityl-L-serine, with the chemical formula C51H45NO5 and CAS registry number 111061-56-4, is a compound known for its applications in peptide synthesis. This compound is a derivative of serine, an amino acid commonly found in proteins. Fmoc-O-trityl-L-serine is often used as a protecting group in peptide synthesis, providing stability to the amino acid during the synthesis process. It is characterized by the Fmoc (9-fluorenylmethoxycarbonyl) protecting group and the trityl (triphenylmethyl) protecting group. These groups can be selectively removed to expose the reactive amino group for further peptide chain elongation. Fmoc-O-trityl-L-serine is an important tool in the field of peptide chemistry, allowing for the efficient and controlled synthesis of complex peptides and proteins.
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1. Names and Identifiers
- 1.1 Name
- Fmoc-O-trityl-L-serine
- 1.2 Synonyms
Fmoc-L-Ser(OTrt)-OH FMOC-L-SER(TRT)-OH FMOC-L-SER(TRT)-OH FMOC-O-TRITYL-L-SERINE FMOC-SERINE(TRT)-OH FMOC-SER(TRT)-OH n-(9-fluorenylMethoxycarbonyl)-o-trityl-l-serine N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-O-TRITYL-L-SERINE N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-O-TRITYL-L-SERINE N-ALPHA-FMOC-O Fmoc-Ser(OTrt)-OH FMoc-Ser(trt) FMOC-SER(TRT)-OH L-Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(triphenylmethyl)- L-Serine, N-formyl-O-(triphenylmethyl)- MFCD00153364 N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-trityl-L-serine N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-tritylserine N-Fmoc-L-Ser-(Trt)-OH N-Formyl-O-trityl-L-serine Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(triphenylmethyl)-
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- 1.3 CAS No.
- 111061-56-4
- 1.4 CID
- 11519790
- 1.5 EINECS(EC#)
- 1533716-785-6
- 1.6 Molecular Formula
- C37H31NO5 (isomer)
- 1.7 Inchi
- InChI=1S/C37H31NO5/c39-35(40)34(38-36(41)42-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-43-37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,38,41)(H,39,40)/t34-/m0/s1
- 1.8 InChIkey
- UCARTONYOJORBQ-UMSFTDKQSA-N
- 1.9 Canonical Smiles
- C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
- 1.10 Isomers Smiles
- C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
2. Properties
- 2.1 Density
- 1.257
- 2.1 Melting point
- 200-210 oC
- 2.1 Boiling point
- 750.399°C at 760 mmHg
- 2.1 Refractive index
- 1.639
- 2.1 Flash Point
- 407.627°C
- 2.1 Precise Quality
- 569.22000
- 2.1 PSA
- 84.86000
- 2.1 logP
- 7.37790
- 2.1 Appearance
- white to light yellow crystal powder
- 2.2 Chemical Properties
- white to light yellow crystal powde Fmoc-O-trityl-L-serineSupplier
- 2.3 pKa
- 3.33±0.10(Predicted)
- 2.4 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Risk Statements
- S22-S24/25
- 3.1 Safety Statements
- S22;S24/25
- 3.1 RIDADR
- NONH for all modes of transport
- 3.1 WGK Germany
- 3
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Synthesis Route
111061-56-4Total: 1 Synthesis Route
7. Other Information
- 7.0 BRN
- 5684859
- 7.1 Chemical Properties
- white to light yellow crystal powde
8. Computational chemical data
- Molecular Weight: 569.657g/mol
- Molecular Formula: C37H31NO5
- Compound Is Canonicalized: True
- XLogP3-AA: 7.2
- Exact Mass: 569.22022309
- Monoisotopic Mass: 569.22022309
- Complexity: 837
- Rotatable Bond Count: 11
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 84.9
- Heavy Atom Count: 43
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB+OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMGDAAAAAGABVAAAHgAQCAAADWzhmAYwCILABgCIAiDSGAACAAAgAAAIiIGICIkKJiaAMTiLcAAl9gEYqAeAwPAOgAAAAAAQAAAAAAAAACAAAQAACAAAAA==
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