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Fmoc-Val-OPfp

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Name

Fmoc-Val-OPfp

EINECS N/A
CAS No. 86060-87-9 Density 1.373 g/cm3
PSA 64.63000 LogP 6.24170
Solubility N/A Melting Point 121-122 °C
Formula C26H20F5NO4 Boiling Point 587.1 °C at 760 mmHg
Molecular Weight 505.441 Flash Point 308.8 °C
Transport Information N/A Appearance White crystal
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 86060-87-9 (FMOC-VAL-OPFP) Hazard Symbols N/A
Synonyms

L-Valine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI);N-(9-Fluorenylmethoxycarbonyl)-L-valine pentafluorophenyl ester;Fmoc-Val-OPfp;

Article Data 6

Fmoc-Val-OPfp Specification

The IUPAC name of Fmoc-Val-OPfp is (2,3,4,5,6-pentafluorophenyl)(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate. With the CAS registry number 86060-87-9, it is also named as N-(9-Fluorenylmethoxycarbonyl)-L-valine pentafluorophenyl ester. The product's categories are Amino Acids; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. In addition, its molecular formula is C26H20F5NO4 and its molecular weight is 505.43. Besides, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. Moreover, it is white crystal which should be stored in refrigerated, closed and dry place at 2-8 °C.

The other characteristics of Fmoc-Val-OPfp can be summarized as: (1)ACD/LogP: 7.15; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.15; (4)ACD/LogD (pH 7.4): 7.15; (5)ACD/BCF (pH 5.5): 160483.89; (6)ACD/BCF (pH 7.4): 160256.05; (7)ACD/KOC (pH 5.5): 185192.11; (8)ACD/KOC (pH 7.4): 184929.19; (9)H bond acceptors: 5; (10)H bond donors: 1; (11)Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 117.82 cm3; (15)Molar Volume: 368 cm3; (16)Polarizability: 46.7×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.373 g/cm3; (19)Flash Point: 308.8 °C; (20)Melting Point: 121-122 °C; (21)Enthalpy of Vaporization: 87.66 kJ/mol; (22)Boiling Point: 587.1 °C at 760 mmHg; (23)Vapour Pressure: 9.18E-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](NC(=O)OCC3c1ccccc1c2c3cccc2)C(C)C
(2)InChI:InChI=1/C26H20F5NO4/c1-12(2)23(25(33)36-24-21(30)19(28)18(27)20(29)22(24)31)32-26(34)35-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17,23H,11H2,1-2H3,(H,32,34)/t23-/m0/s1
(3)InChIKey:TZEGAVSWQUEHAQ-QHCPKHFHBR
(4)Std. InChI:InChI=1S/C26H20F5NO4/c1-12(2)23(25(33)36-24-21(30)19(28)18(27)20(29)22(24)31)32-26(34)35-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17,23H,11H2,1-2H3,(H,32,34)/t23-/m0/s1
(5)Std. InChIKey:TZEGAVSWQUEHAQ-QHCPKHFHSA-N

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