(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid

HCID 6957986CAS 92954-90-0

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Grundinformationen

Standard-SMILES: O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIKey: SWZCTMTWRHEBIN-QFIPXVFZSA-N
Summenformel: C24H21NO5
Durchschnittliche Molmasse: 403,4 g/mol
Monoisotopische Masse: 403,14197277

Namen und Bezeichner

Bevorzugter Name: (2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid
IUPAC: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
Englischer Name: Nalpha-Fmoc-L-tyrosine
Summenformel: C24H21NO5
Molmasse: 403.43

Namen und Synonyme

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-hydroxyphenyl)propanoic acid(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acidRefChem:397902899-551-5Fmoc-Tyr-OH92954-90-0Fmoc-L-tyrosineN-Fmoc-L-tyrosineFMOC-TYROSINEFmoc-TyrNalpha-Fmoc-L-tyrosineMFCD00134890

Weitere Namen anzeigen

FMOC-L-TYR-OHFmoc-L-TyrsineFmoc-Tyr-OH 98%

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-tyrosine(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acidN-9-FLUORENYLMETHOXYCARBONYL-L-TYROSINEM03429(((9H-Fluoren-9-yl)methoxy)carbonyl)-L-tyrosineFmoc-yrosineFmoc-L TyrosineFmoc-DL-tyrosine

Datenbank-Bezeichner

CAS: 92954-90-0
PubChem CID: 6957986
DTXSID: DTXSID90918847
ChEMBL: CHEMBL562672
UNII: K799958SSF
EC Number: 899-551-5
Nikkaji: J956.297D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 95,9 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 7
Schwere Atome: 30
Formalladung: 0
Komplexität: 580

Physikochemische Eigenschaften

Schmelzpunkt: 182 · 182-187 °C
Siedepunkt: 672.6 · 672.6±55.0 °C(Predicted)
Dichte: 1.336 · 1.336±0.06 g/cm3(Predicted)
Brechungsindex: -22 ° · -22.0 ° (C=1, DMF)
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 2.95 · 2.95±0.10(Predicted)
Farbe: White to Almost white
BRN: 3573123 · 3573123
Major Application: peptide synthesis
InChI: 1S/C24H21NO5/c26-16-11-9-15(10-12-16)13-22(23(27)28)25-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22,26H,13-14H2,(H,25,29)(H,27,28)/t22-/m0/s1
InChIKey: SWZCTMTWRHEBIN-QFIPXVFZSA-N
SMILES: OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC2c3ccccc3-c4ccccc24
CAS Datenbank: 92954 · 92954-90-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

wgk: 3
hs_code: 2924 29 70
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37/39-27-26
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-Fmoc-L-tyrosine is an N-Fmoc-protected form of L-Tyrosine. L-Tyrosine is an essential amino acid that exhibits in vitro antioxidant and antiradical activities. L-Tyrosine is used as a precursor to synthesize catecholamines (e.g. Norepinephrine HCl [N674500]) in human keratinocytes, and also for the synthesis of proteins and thyroid hormones.