Fmoc-D-phenylalanine
- Iupac Name：(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
- CAS No.: 86123-10-6
- Molecular Weight：387.435
- Modify Date.: 2022-11-07 01:15
- Introduction: White powder
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1. Names and Identifiers
- 1.1 Name
- Fmoc-D-phenylalanine
- 1.2 Synonyms
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid (R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-phenylpropanoic acid FMOC-D-PHENYLALANINE extrapure Fmoc-D-Phe-OH FMoc-D-Phe-OH FMoc-D-Phenylalanine N-(9-Fluorenylmethoxycarbonyl)-D-phenylalanine N-fluorenylmethoxycarbonyl-D-phenylalanine N-Fmoc-D-phenylalanine N-Fmoc-D-phenylalanineFmoc-D-Phe-OH
- 1.3 CAS No.
- 86123-10-6
- 1.4 CID
- 978332
- 1.5 Molecular Formula
- C24H21NO4 (isomer)
- 1.6 Inchi
- InChI=1S/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1
- 1.7 InChkey
- SJVFAHZPLIXNDH-JOCHJYFZSA-N
- 1.8 Canonical Smiles
- C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
- 1.9 Isomers Smiles
- C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
2. Properties
- 2.1 Density
- 1.276
- 2.1 Melting point
- 181-185 oC
- 2.1 Boiling point
- 620.1 °C at 760 mmHg
- 2.1 Refractive index
- 38 ° (C=1, DMF)
- 2.1 Flash Point
- 328.8 °C
- 2.1 Precise Quality
- 387.14700
- 2.1 PSA
- 75.63000
- 2.1 logP
- 4.61190
- 2.1 Appearance
- white powder
- 2.2 Storage
- Keep Cold.
- 2.3 Chemical Properties
- White powder Fmoc-D-phenylalanineSupplier
- 2.4 Color/Form
- White
- 2.5 pKa
- 3.77±0.10(Predicted)
- 2.6 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Safety Statements
- S22;S24/25
- 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
86123-10-6Total: 5 Synthesis Route
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Literatures:
Huhtiniemi, Tero; Salo, Heikki S.; Suuronen, Tiina; Poso, Antti; Salminen, Antero; Leppaenen, Jukka; Jarho, Elina; Lahtela-Kakkonen, Maija
Journal of Medicinal Chemistry, 2011 , vol. 54, # 19 p. 6456 - 6468
Yield: ~67%
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7. Computational chemical data
- Molecular Weight: 387.435g/mol
- Molecular Formula: C24H21NO4
- Compound Is Canonicalized: True
- XLogP3-AA: 4.6
- Exact Mass: 387.14705815
- Monoisotopic Mass: 387.14705815
- Complexity: 551
- Rotatable Bond Count: 7
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 75.6
- Heavy Atom Count: 29
- 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: AAADceB6OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGABUAAAHgAQCAAADSjhmAYwCILABgCIAiDSGAACAAAgAAAIiIGIAIkKIDKAkTGMYAAk1gEYiAeYyPCOgAAAAAAQAAAAAAAAACAAAQAACAAAAA==
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