FMOC-L-Valine
- Iupac Name：(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
- CAS No.: 68858-20-8
- Molecular Weight：339.38504
- Modify Date.: 2022-10-31 19:20
- Introduction: white to light yellow crystal powde
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1. Names and Identifiers
- 1.1 Name
- FMOC-L-Valine
- 1.2 Synonyms
(2S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-3-methylbutanoic acid (9-Fluorenylmethoxycarbonyl)valine (S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid (S)-N-Fmoc-valine 125: PN: WO2004099237 PAGE: 36 claimed protein 221: PN: US20070042401 PAGE: 29 claimed protein 912: PN: WO2006135786 PAGE: 59 claimed protein Fmoc-L-Val-OH Fmoc-valine Fmoc-Val-OH L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- N-(9-FLUORENYLMETHOXYCARBONYL)-L-VALINE N-(9-Fluorenylmethoxycarbonyl)valine N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-L-VALINE N-9-FLUORENYLMETHYLOXYCARBONYL-L-VALINE N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-L-VALINE N-FMOC-L-VAL N-FMOC-L-VALINE N-FMOC-VAL-OH NSC 334304
- 1.3 CAS No.
- 68858-20-8
- 1.4 CID
- 688217
- 1.5 EINECS(EC#)
- 272-515-0
- 1.6 Molecular Formula
- C20H21NO4 (isomer)
- 1.7 Inchi
- InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
- 1.8 InChkey
- UGNIYGNGCNXHTR-SFHVURJKSA-N
- 1.9 Canonical Smiles
- CC(C)C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
- 1.10 Isomers Smiles
- CC(C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
2. Properties
- 2.1 Density
- 1.229
- 2.1 Melting point
- 143-147℃
- 2.1 Boiling point
- 551.8 °C at 760 mmHg
- 2.1 Refractive index
- -17.5 ° (C=1, DMF)
- 2.1 Flash Point
- 287.5 °C
- 2.1 Precise Quality
- 339.14700
- 2.1 PSA
- 79.12000
- 2.1 logP
- 3.83870
- 2.1 Solubility
- Solubility in methanol gives very faint turbidity.
- 2.2 Appearance
- White to off-white crystalline powder
- 2.3 Storage
- Keep Cold.
- 2.4 Chemical Properties
- white to light yellow crystal powde FMOC-L-ValineSupplier
- 2.5 pKa
- 3.90±0.10(Predicted)
- 2.6 Water Solubility
- Solubility in methanol gives very faint turbidity.
- 2.7 Stability
- Stable under normal temperatures and pressures.
- 2.8 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Hazard Codes
- Xi
- 3.1 Risk Statements
- R36/37/38
- 3.1 Safety Statements
- S22;S26;S36/37/39
- 3.1 RIDADR
- OTH
- 3.1 WGK Germany
- 3
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
68858-20-8Total: 15 Synthesis Route
8. Other Information
- 8.0 Usage
- It is potentially useful for proteomics studies and solid phase peptide synthesis techniques. Fmoc-valine (in addition to the other amino acids) is commonly used to synthesize 4-thiazolidinones (e.g. (E)-5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one [E925745]) and 4-metathiazanones as well.
9. Computational chemical data
- Molecular Weight: 339.38504g/mol
- Molecular Formula: C20H21NO4
- Compound Is Canonicalized: True
- XLogP3-AA: 4
- Exact Mass: 339.14705815
- Monoisotopic Mass: 339.14705815
- Complexity: 470
- Rotatable Bond Count: 6
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 75.6
- Heavy Atom Count: 25
- 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: AAADceB6OAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAHgAQCAAADSjhmAYyCILABgCIAiDSGAACAAAgAAAIiIGIAIkKIDKAETCMYAAk1gEYiAeAwPAOgAAAAAAQAAAAAAAAACAAAQAACAAAAA==
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11. Realated Product Infomation
skype
1YR
