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Fmoc-Pro-OPfp

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Name

Fmoc-Pro-OPfp

EINECS N/A
CAS No. 86060-90-4 Density 1.455 g/cm3
PSA 55.84000 LogP 5.63890
Solubility N/A Melting Point 127-129 °C
Formula C26H18F5NO4 Boiling Point 573.3 °C at 760 mmHg
Molecular Weight 503.425 Flash Point 300.5 °C
Transport Information N/A Appearance white powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 86060-90-4 (FMOC-PRO-OPFP) Hazard Symbols N/A
Synonyms

1,2-Pyrrolidinedicarboxylicacid, 1-(9H-fluoren-9-ylmethyl) 2-(pentafluorophenyl) ester, (S)-;N-(Fluorenylmethoxycarbonyl)proline pentafluorophenyl ester;N-9-Fluorenylmethoxycarbonyl-L-proline pentafluorophenyl ester;Fmoc-Pro-OPfp;

Article Data 2

Fmoc-Pro-OPfp Specification

The IUPAC name of Fmoc-Pro-OPfp is 1-O-(9H-fluoren-9-ylmethyl) 2-O-(2,3,4,5,6-pentafluorophenyl)(2S)-pyrrolidine-1,2-dicarboxylate. With the CAS registry number 86060-90-4, it is also named as N-9-Fluorenylmethoxycarbonyl-L-proline pentafluorophenyl ester. The product's categories are Amino Acids; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. In addition, its molecular formula is C26H18F5NO4 and its molecular weight is 503.42. Besides, this chemical is white powder which should be stored in refrigerated, airtight, dry place at 2-8 °C.

The other characteristics of Fmoc-Pro-OPfp can be summarized as: (1)ACD/LogP: 5.73; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.73; (4)ACD/LogD (pH 7.4): 5.73; (5)ACD/BCF (pH 5.5): 13399.1; (6)ACD/BCF (pH 7.4): 13399.1; (7)ACD/KOC (pH 5.5): 31314.75; (8)ACD/KOC (pH 7.4): 31314.75; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 115.56 cm3; (15)Molar Volume: 345.9 cm3; (16)Polarizability: 45.81×10-24cm3; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.455 g/cm3; (19)Flash Point: 300.5 °C; (20)Melting Point: 127-129 °C; (21)Enthalpy of Vaporization: 85.92 kJ/mol; (22)Boiling Point: 573.3 °C at 760 mmHg; (23)Vapour Pressure: 3.77E-13 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(Oc1c(F)c(F)c(F)c(F)c1F)[C@H]5N(C(=O)OCC4c2ccccc2c3ccccc34)CCC5
(2)InChI: InChI=1/C26H18F5NO4/c27-19-20(28)22(30)24(23(31)21(19)29)36-25(33)18-10-5-11-32(18)26(34)35-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2/t18-/m0/s1
(3)InChIKey: CQBLOHXKGUNWRV-SFHVURJKBU

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