(R)-2-amino-3-(4-bromophenyl)propionic acid
Grundinformationen
- CAS
62561-74-4- Standard-SMILES
N[C@H](Cc1ccc(Br)cc1)C(=O)O- InChIKey
PEMUHKUIQHFMTH-MRVPVSSYSA-N- Summenformel
- C9H10BrNO2
- Durchschnittliche Molmasse
- 244,08 g/mol
Überblick
4-bromo-D-phenylalanine is the D-enantiomer of 4-bromophenylalanine. It is a 4-bromophenylalanine and a D-phenylalanine derivative. It is an enantiomer of a 4-bromo-L-phenylalanine.
Namen und Bezeichner
- Bevorzugter Name
- (R)-2-amino-3-(4-bromophenyl)propionic acid
- IUPAC
- (2R)-2-amino-3-(4-bromophenyl)propanoic acid
- Englischer Name
- 4-Bromo-D-phenylalanine
- Summenformel
- C9H10BrNO2
- Molmasse
- 244.09
Namen und Synonyme
62561-74-4(R)-2-amino-3-(4-bromophenyl)propionic acidRefChem:407196818-023-74-Bromo-D-phenylalanined-4-Bromophenylalanine(2R)-2-amino-3-(4-bromophenyl)propanoic acid(r)-2-amino-3-(4-bromophenyl)propanoic acidH-D-Phe(4-Br)-OH4-Bromo-D-Phe-OHMFCD01075126P-BROMO-D-PHENYLALANINE
Weitere Namen anzeigen
D-PHE(4-BR)D-4-Br-Phe-OHD-Phe(4-Br)-OHH-D-PHE(P-BR)-OHD-4-Bromo-phe-OHH-P-BROMO-D-PHE-OH
M03236D-4-BromopheD-Phenylalanine, 4-bromo-(R)-2-AMINO-3-(4-BROMO-PHENYL)-PROPIONIC ACIDSCHEMBL244718CHEBI:233008PEMUHKUIQHFMTH-MRVPVSSYSA-NAKOS016842809
Datenbank-Bezeichner
- CAS
62561-74-4- PubChem CID
- 671215
- ChEBI
CHEBI:233008- EC Number
- 818-023-7
- Nikkaji
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 178
Physikochemische Eigenschaften
- Siedepunkt
- 368.4 · 368.4±32.0 °C(Predicted)
- Dichte
- 1.588 · 1.588±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT.
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- Powder
- pka
- 2.18 · 2.18±0.10(Predicted)
- InChI
- InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
- InChIKey
- PEMUHKUIQHFMTH-MRVPVSSYSA-N
- SMILES
- C(O)(=O)[C@@H](CC1=CC=C(Br)C=C1)N
- CAS Datenbank
- 62561 · 62561-74-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 2922498590
- hazard_code
- Xi
Chemie und Industrie
Anwendungen
Verwenden4-Bromo-D-phenylalanine serves as a gramicidin S analogue residue that exhibits β-sheet formation and antimicrobial activities closely related to native gramicidin S. The Fmoc-protected derivative functions as a coupling component in solid-phase peptide synthesis, incorporated into sequences such as cyclo-(MAA-Val-Orn(Boc)-Leu-DPhe-Pro-Val-Orn-Leu) and resin-bound SAA(Piv)-Val-Orn(Boc)-Leu-DPhe-Pro-Val-Orn(Boc)-Leu[1].
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