The CAS register number of Fmoc-glycine pentafluorophenyl ester is 86060-85-7. It also can be called as Glycine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,3,4,5,6-pentafluorophenyl ester and the systematic name about this chemical is pentafluorophenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]glycinate. The molecular formula about this chemical is C23H14F5NO4 and the molecular weight is 463.35. It belongs to the following product categories, such as Amino Acids; Glycine [Gly, G]; Fmoc-Amino Acids and Derivatives and so on. When you are using it, please avoid contact with skin and eyes.
Physical properties about Fmoc-glycine pentafluorophenyl ester are: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.93; (4)ACD/LogD (pH 7.4): 5.92; (5)ACD/BCF (pH 5.5): 18774.35; (6)ACD/BCF (pH 7.4): 18735.82; (7)ACD/KOC (pH 5.5): 39865.87; (8)ACD/KOC (pH 7.4): 39784.05; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 104 cm3; (15)Molar Volume: 317.7 cm3; (16)Polarizability: 41.23x10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Enthalpy of Vaporization: 85.62 kJ/mol; (19)Boiling Point: 570.9 °C at 760 mmHg; (20)Vapour Pressure: 4.8E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc4c(F)c(F)c(F)c(F)c4OC(=O)CNC(=O)OCC3c1ccccc1c2c3cccc2
(2)InChI: InChI=1/C23H14F5NO4/c24-17-18(25)20(27)22(21(28)19(17)26)33-16(30)9-29-23(31)32-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,29,31)
(3)InChIKey: LBSDTBJWUJIFBO-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C23H14F5NO4/c24-17-18(25)20(27)22(21(28)19(17)26)33-16(30)9-29-23(31)32-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,29,31)
(5)Std. InChIKey: LBSDTBJWUJIFBO-UHFFFAOYSA-N
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