The IUPAC name of Fmoc-Phe-OPfp is (2,3,4,5,6-pentafluorophenyl)(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate. With the CAS registry number 86060-92-6, it is also named as Fmoc-L-phenylalanine pentafluorophenyl ester. The product's categories are Amino Acids; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. In addition, its molecular formula is C30H20F5NO4 and its molecular weight is 553.48. This chemical is white crystals which should be stored in refrigerated, airtight, dry place at 2-8 °C. Besides, 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-Phe-OPfp can be summarized as: (1)ACD/LogP: 8.20; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.2; (4)ACD/LogD (pH 7.4): 8.2; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 691509.19; (8)ACD/KOC (pH 7.4): 690618.44; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 133.08 cm3; (15)Molar Volume: 395.3 cm3; (16)Polarizability: 52.75×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.399 g/cm3; (19)Flash Point: 361.9 °C; (20)Melting point: 149-151 °C; (21)Enthalpy of Vaporization: 99.09 kJ/mol; (22)Boiling Point: 674.8 °C at 760 mmHg; (23)Vapour Pressure: 4.56E-18 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Fc5c(F)c(F)c(F)c(F)c5OC(=O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccccc4
(2)InChI: InChI=1/C30H20F5NO4/c31-23-24(32)26(34)28(27(35)25(23)33)40-29(37)22(14-16-8-2-1-3-9-16)36-30(38)39-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,36,38)/t22-/m0/s1
(3)InChIKey: WKHPSOMXNCTXPK-QFIPXVFZBB
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