Fmoc-L-3-Nitrophenylalanine
Basic information
- CAS
206060-42-6- Standard SMILES
O=C(N[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
UDIZJKKIJYRJIN-QFIPXVFZSA-N- Molecular formula
- C24H20N2O6
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.13213636
Names & identifiers
- Preferred name
- Fmoc-L-3-Nitrophenylalanine
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propanoic acid
- English name
- Fmoc-L-3-nitrophenylalanine
- Molecular formula
- C24H20N2O6
- Molecular weight
- 432.43
Names & synonyms
206060-42-6Fmoc-L-3-NitrophenylalanineFmoc-3-Nitro-L-PhenylalanineFmoc-Phe(3-NO2)-OHFmoc-L-3-NitropheMFCD01317718Fmoc-L-phe(3-NO2)-OH(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-nitrophenyl)propanoic acidL-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-nitro-(2S)-2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)-3-(3-NITROPHENYL)PROPANOIC ACID(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propanoic acidFmoc-m-nitro-L-Phe-OH
Show more names
RARECHEM LF FC P253Fmoc-L-3-NO2-Phe-OHFmoc-b-Phe(3-NO2)-OHFMOC-BETA-PHE(3-NO2)-OHFMOC-D-PHG(3-NO2)-(C*CH2)OHFMOC-L-3-NITROPHENYLALANINE，98%3-Nitro-L-phenylalanine, N-FMOC protected(S)-N-FMOC-beta-(3-nitrophenyl)-beta-alanineFMoc-L-3-NO2-Phe-OH FMoc-3-Nitro-L-Phenylalanine
SCHEMBL29929433AKOS024464828FF50058AC-25335AS-54556SY254921CS-0149878S12019
Database identifiers
- CAS
206060-42-6- PubChem CID
- 2761817
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 672
Physicochemical properties
- Melting point
- 140 °C · 140 °C
- Boiling point
- 546.11 °C · 546.11°C (rough estimate)
- Density
- 1.3445 · 1.3445 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 3.61 · 3.61±0.10(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 206060 · 206060-42-6(CAS DataBase Reference)
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- safety_code
- 24/25
- hazard_class
- IRRITANT
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Compound notes
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