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Fmoc-L-alanine pentafluorophenyl ester

  • Name Fmoc-L-alanine pentafluorophenyl ester
  • EINECSN/A
  • CAS No. 86060-86-8
  • Density1.426 g/cm3
  • PSA64.63000
  • LogP5.60560
  • SolubilityN/A
  • Melting Point181.0 to 185.0 °C
  • FormulaC24H16F5NO4
  • Boiling Point574.072 °C at 760 mmHg
  • Molecular Weight477.387
  • Flash Point300.988 °C
  • Transport InformationN/A
  • Appearancewhite to yellow powder
  • Safety24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 86060-86-8 (FMOC-ALA-OPFP)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data4

Fmoc-L-alanine pentafluorophenyl ester Specification

The IUPAC name of Fmoc-Ala-OPfp is (2,3,4,5,6-pentafluorophenyl)(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate. With the CAS registry number 86060-86-8, it is also named as Fmoc-L-alanine pentafluorophenyl ester. The product's categories are Amino Acids; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. In addition, its molecular formula is C24H16F5NO4 and its molecular weight is 477.38. Besides, it is white to yellow powder which should be stored in refrigerated, closed and dry place at 2-8 °C.

The other characteristics of Fmoc-Ala-OPfp can be summarized as: (1)ACD/LogP: 5.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 34482; (6)ACD/BCF (pH 7.4): 34441; (7)ACD/KOC (pH 5.5): 61601; (8)ACD/KOC (pH 7.4): 61529; (9)H bond acceptors: 5; (10)H bond donors: 1; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 64.63 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 108.597 cm3; (15)Molar Volume: 334.661 cm3; (16)Polarizability: 43.051×10-24cm3; (17)Surface Tension: 46.307 dyne/cm; (18)Density: 1.426 g/cm3; (19)Flash Point: 300.988 °C; (20)Enthalpy of Vaporization: 86.017 kJ/mol; (21)Boiling Point: 574.072 °C at 760 mmHg; (22)Vapour Pressure: 0 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](NC(=O)OCC3c1ccccc1c2c3cccc2)C
(2)InChI:InChI=1/C24H16F5NO4/c1-11(23(31)34-22-20(28)18(26)17(25)19(27)21(22)29)30-24(32)33-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,30,32)/t11-/m0/s1
(3)InChIKey:CJXZXBGKOSXBFR-NSHDSACABE
(4)Std. InChI:InChI=1S/C24H16F5NO4/c1-11(23(31)34-22-20(28)18(26)17(25)19(27)21(22)29)30-24(32)33-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,30,32)/t11-/m0/s1
(5)Std. InChIKey:CJXZXBGKOSXBFR-NSHDSACASA-N

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