Basic Information | Post buying leads | Suppliers | Cas Database |
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 | 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 |
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