Basic information
- CAS
68858-20-8- Standard SMILES
CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
UGNIYGNGCNXHTR-SFHVURJKSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.14705815
Names & identifiers
- Preferred name
- FMOC-L-valine
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
- English name
- FMOC-L-Valine
- Molecular formula
- C20H21NO4
- Molecular weight
- 339.39
Names & synonyms
Fmoc-L-valine68858-20-8RefChem:345606Fmoc-Val-OHFmoc-L-Val-OHN-Fmoc-L-valineFMOC-VALINEMFCD00037124N-(9-Fluorenylmethoxycarbonyl)-L-valine(S)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-METHYLBUTANOIC ACID(((9H-fluoren-9-yl)methoxy)carbonyl)-L-valine(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
Show more names
FMOC-VALFMOC-L-VALN-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-L-VALINEValine-d8Fomc-val-OH
SCHEMBL120703M03378STR09734L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-AC8023AKOS015924209EN300-81244(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanoic acid
Database identifiers
- CAS
68858-20-8- PubChem CID
- 688217
- DTXSID
DTXSID901317560- ChEMBL
CHEMBL560019- UNII
- S9C32XT8YE
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Experimental & physicochemical properties
Physical DescriptionWhite solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 143 · 143-145 °C(lit.)
- alpha
- -16 · -16 º (c=1,DMF)
- Boiling point
- 475.36 °C · 475.36°C (rough estimate)
- Density
- 1.227 · 1.2270 (rough estimate)
- refractive index
- -17.5 ° · -17.5 ° (C=1, DMF)
- storage temp.
- 2 · 2-8°C
- solubility
- Solubility in methanol gives very faint turbidity.
- pka
- 3.9 · 3.90±0.10(Predicted)
- form
- Solid
- color
- Off-White
- optical activity
- 20 · [α]20/D 17±1°, c = 1% in DMF
- BRN
- 2177443 · 2177443
- Major Application
- peptide synthesis
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (5 of 10) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (30%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 5 of 10 reports by companies.；There are 3 notifications provided by 5 of 10 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazards SummaryNot considered hazardous by GHS classification; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (30%)；Eye Irrit. 2A (30%)；STOT SE 3 (30%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29242990
- risk_code
Chemistry & industry
Uses & manufacturing
UsesUsed in peptide and chemical syntheses; [EMD Millipore MSDS]
Applications
UsesFmoc-Val-OH 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.
General DescriptionFMOC-L-Valine is potentially useful for proteomics studies and solid phase peptide synthesis techniques.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
23 records
Compound notes
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