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Molecule
Fmoc-L-Phenylalanine
CAS: 35661-40-6 · C24H21NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 35661-40-6
- Molecular Formula
- C24H21NO4
- Molecular Mass
- 387.44 g/mol
Identifiers
CAS Registry Number
35661-40-6
SMILES
O=C(O)[C@H](Cc1ccccc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChI Key
SJVFAHZPLIXNDH-QFIPXVFZSA-N
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-/m0/s1
Names and Synonyms
- Fmoc-L-Phenylalanine Common Name
- (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-phenylpropanoic acid Synonym
- L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- Synonym
- N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine Synonym
- N-(9-Fluorenylmethoxycarbonyl)phenylalanine Synonym
- N-(9-Fluorenylmethoxycarbonyl)-L-phenylalanine Synonym
- FMOC-L-phenylalanine Synonym
- Fmoc-phenylalanine Synonym
- NSC 334293 Synonym
- (S)-2-[9H-Fluoren-9-yl(methoxycarbonyl)amino]-3-phenylpropionic acid Synonym
- (S)-N-Fmoc-phenylalanine Synonym
- 917: PN: WO2006135786 PAGE: 59 claimed protein Synonym
- 226: PN: US20070042401 PAGE: 30 claimed protein Synonym
- (2S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-3-phenylpropanoic acid Synonym
- N-α-[[(9H-Fluoren-9-yl)methoxy]carbonyl]-L-phenylalanine Synonym
- N-9-Fluorenylmethoxycarbonylphenylalanine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 387.44 g/mol | CAS Common Chemistry |
| 387.4350000000001 g/mol | RDKit | |
| 387.435 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CC=4C=CC=CC4 | CAS Common Chemistry |
| 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-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SJVFAHZPLIXNDH-QFIPXVFZSA-N | CAS Common Chemistry |
| Melting Point | 166-168 °C (decomp) | CAS Common Chemistry |
| Name | FMOC-L-phenylalanine | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 4.425400000000003 | RDKit |
| 4.4254 | RDKit | |
| Molar Refractivity | 111.30660000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 387.147058152 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 387.44 g/mol. Edit any field — others recompute live.
