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FMOC-L-Isoleucine

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Name

FMOC-L-Isoleucine

EINECS 276-255-9
CAS No. 71989-23-6 Density 1.207 g/cm3
PSA 75.63000 LogP 4.41530
Solubility N/A Melting Point 145-147 °C(lit.)
Formula C21H23NO4 Boiling Point 559.8 °C at 760 mmHg
Molecular Weight 353.418 Flash Point 292.4 °C
Transport Information N/A Appearance white fine crystalline powder
Safety 22-24/25-36/37/39-27-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 71989-23-6 (Fmoc-L-Isoleucine) Hazard Symbols IrritantXi
Synonyms

(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoate;N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-isoleucine;(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoate;Fmoc-L-Ile-OH;Fmoc-lle-OH;N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine;N-(9-Fluorenylmethoxycarbonyl)-L-isoleucine;

Article Data 18

FMOC-L-Isoleucine Specification

The FMOC-L-Isoleucine, with CAS registry number 71989-23-6, belongs to the following product categories: (1)Protected Amino Acids; (2)Fluorenes, Flurenones; (3)Aminoacids Derivatives; (4)Amino Acids; (5)Isoleucine [Ile, I]; (6)Fmoc-Amino Acids and Derivatives; (7)Amino Acids (N-Protected); (8)Biochemistry; (9)Fmoc-Amino Acids; (10)Fmoc-Amino acid series. It has the systematic name of N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine. This chemical is a kind of white fine crystalline powder. It should be stored at the temperature of 2-8°C. What's more, its EINECS is 276-255-9.

Physical properties of FMOC-L-Isoleucine: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 37.61; (6)ACD/BCF (pH 7.4): 1.08; (7)ACD/KOC (pH 5.5): 129.54; (8)ACD/KOC (pH 7.4): 3.72; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 97.77 cm3; (15)Molar Volume: 292.6 cm3; (16)Polarizability: 38.75×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.207 g/cm3; (19)Flash Point: 292.4 °C; (20)Enthalpy of Vaporization: 88.62 kJ/mol; (21)Boiling Point: 559.8 °C at 760 mmHg; (22)Vapour Pressure: 2.28E-13 mmHg at 25°C.

Preparation: this chemical can be prepared by L-isoleucine and N-(9-fluorenylmethoxycarbonyl)succinimide. This reaction will need reagent triethylamine and solvents H2O, acetonitrile. The reaction time is 1 hour(s). The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
The FMOC-L-Isoleucine irritates to eyes, respiratory system and skin. You should not breathe dust and should avoid contact with skin and eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. After using it, take off immediately all contaminated clothing. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)C(C)CC
(2)InChI: InChI=1/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
(3)InChIKey: QXVFEIPAZSXRGM-YFKXAPIDBV
(4)Std. 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
(5)Std. InChIKey: QXVFEIPAZSXRGM-YFKXAPIDSA-N

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