N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isoleucin

FMOC-ILE-OH · FMOC-ILE · Fmoc-lle-OH · FMOC-L-ILE-OH · FMoc-IIe-OH · FMOC-L-ILE · FMOC-L-Isoleucine · Fmoc-lle

https://huagongshe.com/de/chemical/100103

Molekülstruktur von N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isoleucin

Identifikatoren & physikalische Daten

CAS No.	71989-23-6
Summenformel	C21H23NO4
Durchschnittliche Molmasse	353,4 g/mol
SMILES	CCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey	QXVFEIPAZSXRGM-UHFFFAOYSA-N
PubChem CID	100103
EC No.	276-255-9
Lokaler Name	N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isoleucin

Chemische & physikalische Eigenschaften

XLogP	4,4
Polarare Oberfläche (TPSA)	75,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	7
Schwere Atome	26
Formalladung	0
Komplexität	486
Schmelzpunkt	145-147 °C(lit.)
Siedepunkt	486.83°C (rough estimate)
Dichte	1.2107 (rough estimate)
Brechungsindex	-12 ° (C=1, DMF)
Lagerbedingungen	2-8°C
Löslichkeit	Soluble in methanol (very faint turbidity).
Aggregatzustand	Fine Crystalline Powder
pKa (Säurekonstante)	3.92±0.22(Predicted)
Farbe	White
BRN	4716717
Hauptanwendungen	peptide synthesis
InChI	InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19-/m0/s1
InChIKey	QXVFEIPAZSXRGM-DJJJIMSYSA-N
SMILES	C(O)(=O)[C@H]([C@@H](C)CC)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
CAS Datenbank	71989-23-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 60% (6 of 10) of all reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (20%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2924 29 70
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	22-24/25-36/37/39-27-26
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Beschreibung

Fmoc-Ile-OH is an isoleucine derivative. It is white fine crystalline powder and belong to Fmoc materials. Fmoc-Leu-OH forms flower-like morphology at both low and high concentration under room temperature which changes to small tube-like structure on heating[1].

Verwenden

N-Fmoc-L-isoleucine is an unnatural amino acid used for peptidomimetics. It is also used as a pharmaceutical intermediate.