Fmoc-L-alanine pentafluorophenyl ester supplier

Name
FMOC-ALA-OPFP
EINECS
CAS No. 86060-86-8
Article Data4
CAS DataBase
Density 1.426 g/cm³
Solubility
Melting Point 181.0 to 185.0 °C
Formula C₂₄H₁₆F₅NO₄
Boiling Point 574.072 °C at 760 mmHg
Molecular Weight 477.387
Flash Point 300.988 °C
Transport Information
Appearance white to yellow powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Alanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI);FMOC-L-Alanine pentafluorophenyl ester;N-(9-Fluorenylmethoxycarbonyl)-L-alanine pentafluorophenyl ester;N-(9-Fluorenylmethoxycarbonyl)alanine pentafluorophenyl ester;N-(Fluorenylmethoxycarbonyl)alanine pentafluorophenyl ester;Pentafluorophenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alaninate;Fmoc-Ala-OPfp;
PSA 64.63000
LogP 5.60560

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

Product Name

FMOC-ALA-OPFP

Fmoc-L-alanine pentafluorophenyl ester Specification

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