FMOC-D-Valine
- Iupac Name：(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
- CAS No.: 84624-17-9
- Molecular Weight：339.391
- Modify Date.: 2022-10-27 23:29
- Introduction: white to light yellow crystal powde
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1. Names and Identifiers
- 1.1 Name
- FMOC-D-Valine
- 1.2 Synonyms
D-Fmoc-Val-Cl D-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- FMOC-D-VAL FMOC-D-VAL-OH Fmoc-Val-OH MFCD00062953 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-valine N-alpha-(9-Fluorenylmethyloxycarbonyl)-D-valine N-FMOC-D-VALINE
- 1.3 CAS No.
- 84624-17-9
- 1.4 CID
- 1549479
- 1.5 Molecular Formula
- C20H21NO4 (isomer)
- 1.6 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-/m1/s1
- 1.7 InChkey
- UGNIYGNGCNXHTR-GOSISDBHSA-N
- 1.8 Canonical Smiles
- CC(C)C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
- 1.9 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±0.06 g/cm3(Predicted)
- 2.1 Melting point
- 143-144℃
- 2.1 Boiling point
- 551.8±33.0 °C(Predicted)
- 2.1 Refractive index
- 1.590
- 2.1 Flash Point
- 287.5±25.4 °C
- 2.1 Precise Quality
- 339.14700
- 2.1 PSA
- 75.63000
- 2.1 logP
- 4.02520
- 2.1 Appearance
- White to off-white crystalline powder
- 2.2 Storage
- Keep Cold.
- 2.3 Chemical Properties
- white to light yellow crystal powde FMOC-D-ValineSupplier
- 2.4 pKa
- 3.90±0.10(Predicted)
- 2.5 Water Solubility
- Appearance:White to off-white crystalline powder
Transport Information: OTH
Hazard Symbols:Not regulated
UN
NO.
particular:particular
- 2.6 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Safety Statements
- S22;S24/25
- 3.1 RIDADR
- OTH
- 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. Other Information
- 5.0 Usage
- It is potentially useful for proteomics studies and solid phase peptide synthesis techniques. Valine is one of the simplest amino acids - an isopropyl group as the side chain. This smaller side chain confers a fairly high degree of flexibility when incorporated into a polypeptide chain. The Fmoc group is typically removed with a base such as pyridine - an orthogonal de-protection strategy to the acid labilie Boc group.
6. Computational chemical data
- Molecular Weight: 339.391g/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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8. Realated Product Infomation
skype
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