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Fmoc-N-epsilon-trifluoroacetyl-L-lysine

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Name

Fmoc-N-epsilon-trifluoroacetyl-L-lysine

EINECS N/A
CAS No. 76265-69-5 Density 1.336 g/cm3
PSA 104.73000 LogP 4.60890
Solubility N/A Melting Point 170-174℃
Formula C23H23F3N2O5 Boiling Point 668.3 °C at 760 mmHg
Molecular Weight 464.44 Flash Point 358 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 76265-69-5 (Fmoc-N-epsilon-trifluoroacetyl-L-lysine) Hazard Symbols N/A
Synonyms

Fmoc-Lys(Tfa)-OH;N-α-Fmoc-N-ε-tritfluoroacetyl-L-lysine;N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-epsilon-trifluoracetyl-L-lysine;

 

Fmoc-N-epsilon-trifluoroacetyl-L-lysine Specification

The IUPAC name of Fmoc-N-epsilon-trifluoroacetyl-L-lysine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid. With the CAS registry number 76265-69-5, it is also named as N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-epsilon-trifluoracetyl-L-lysine. The product's categories are Amino Acids; Lysine [Lys, K]; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. In addition, its molecular formula is C23H23F3N2O5 and its molecular weight is 464.44. This chemical should be stored at 2-8 °C.

The other characteristics of Fmoc-N-epsilon-trifluoroacetyl-L-lysine can be summarized as: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 6.11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.74; (8)ACD/KOC (pH 7.4): 1.06; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 111.15 cm3; (15)Molar Volume: 347.5 cm3; (16)Polarizability: 44.06×10-24cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.336 g/cm3; (19)Flash Point: 358 °C; (20)Enthalpy of Vaporization: 103.19 kJ/mol; (21)Boiling Point: 668.3 °C at 760 mmHg; (22)Vapour Pressure: 9.06E-19 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC3c1ccccc1c2c3cccc2
(2)InChI: InChI=1/C23H23F3N2O5/c24-23(25,26)21(31)27-12-6-5-11-19(20(29)30)28-22(32)33-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,27,31)(H,28,32)(H,29,30)/t19-/m0/s1
(3)InChIKey: ZVLMWTPNDXNXSZ-IBGZPJMEBX
(4)Std. InChI: InChI=1S/C23H23F3N2O5/c24-23(25,26)21(31)27-12-6-5-11-19(20(29)30)28-22(32)33-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,27,31)(H,28,32)(H,29,30)/t19-/m0/s1
(5)Std. InChIKey: ZVLMWTPNDXNXSZ-IBGZPJMESA-N

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