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Fmoc-L-leucine pentafluorophenyl ester

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Name

Fmoc-L-leucine pentafluorophenyl ester

EINECS N/A
CAS No. 86060-88-0 Density 1.35 g/cm3
PSA 64.63000 LogP 6.63180
Solubility N/A Melting Point 101-115°C
Formula C27H22F5NO4 Boiling Point 596.3 °C at 760 mmHg
Molecular Weight 519.468 Flash Point 314.5 °C
Transport Information N/A Appearance solid
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 86060-88-0 (Fmoc-Leu-OPfp) Hazard Symbols N/A
Synonyms

Fmoc-L-leucine pentafluorophenyl ester;

Article Data 3

Fmoc-L-leucine pentafluorophenyl ester Specification

The IUPAC name of Fmoc-Leu-OPfp is (2,3,4,5,6-pentafluorophenyl)(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoate. With the CAS registry number 86060-88-0, it is also named as Fmoc-L-leucine pentafluorophenyl ester. The product's categories are Amino Acid Derivatives; Amino Acids; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. In addition, its molecular formula is C27H22F5NO4 and its molecular weight is 519.46. This chemical is solid which should be stored in refrigerated, airtight, dry place at 2-8 °C. Moreover, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of Fmoc-Leu-OPfp can be summarized as: (1)ACD/LogP: 7.68; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.68; (4)ACD/LogD (pH 7.4): 7.68; (5)ACD/BCF (pH 5.5): 406685.91; (6)ACD/BCF (pH 7.4): 406211.53; (7)ACD/KOC (pH 5.5): 360311.66; (8)ACD/KOC (pH 7.4): 359891.34; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 64.63 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 122.45 cm3; (15)Molar Volume: 384.5 cm3; (16)Polarizability: 48.54×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 314.5 °C; (20)Enthalpy of Vaporization: 88.85 kJ/mol; (21)Boiling Point: 596.3 °C at 760 mmHg; (22)Vapour Pressure: 3.47E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc4c(F)c(F)c(F)c(F)c4OC(=O)[C@H](CC(C)C)NC(=O)OCC3c1ccccc1c2ccccc23
(2)InChI: InChI=1/C27H22F5NO4/c1-13(2)11-19(26(34)37-25-23(31)21(29)20(28)22(30)24(25)32)33-27(35)36-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,33,35)/t19-/m0/s1
(3)InChIKey: NTQJCLLWLHKJLU-IBGZPJMEBP
(4)Std. InChI: InChI=1S/C27H22F5NO4/c1-13(2)11-19(26(34)37-25-23(31)21(29)20(28)22(30)24(25)32)33-27(35)36-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,33,35)/t19-/m0/s1
(5)Std. InChIKey: NTQJCLLWLHKJLU-IBGZPJMESA-N

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