CAS No.86060-92-6,FMOC-PHE-OPFP Suppliers

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Basic Information

Molecular Structure:
CAS No.:	86060-92-6
Name:	FMOC-PHE-OPFP
Article Data:	6

Formula:	C₃₀H₂₀F₅NO₄
Molecular Weight:	553.485
Synonyms:	L-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI);N-(9-Fluorenylmethoxycarbonyl)-L-phenylalanine pentafluorophenyl ester;N-(9-Fluorenylmethoxycarbonyl)phenylalanine pentafluorophenyl ester;Fmoc-Phe-OPfp;
Density:	1.399 g/cm³
Melting Point:	149-151 °C
Boiling Point:	674.8 °C at 760 mmHg
Flash Point:	361.9 °C
Appearance:	white crystals
Safety:	22-24/25
PSA:	64.63000
LogP:	6.82840

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Specification

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