D-Cysteine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-[(4-methylphenyl)methyl]- (200354-41-2)

The Fmoc-S-4-methylbenzyl-D-cysteine is an organic compound with the formula C₂₆H₂₅NO₄S. The systematic name of this chemical is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(4-methylbenzyl)-L-cysteine. With the CAS registry number 200354-41-2, it is also named as Fmoc-Cys(Mbzl)-OH. Besides, it should be stored at room temperaturre.

Physical properties about Fmoc-S-4-methylbenzyl-D-cysteine are: (1)ACD/LogP: 6.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.43; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 359.75; (6)ACD/BCF (pH 7.4): 20.77; (7)ACD/KOC (pH 5.5): 485.66; (8)ACD/KOC (pH 7.4): 28.04; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 81.14 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 125.85 cm³; (15)Molar Volume: 350.1 cm³; (16)Polarizability: 49.89×10^-24cm³; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.278 g/cm³; (19)Flash Point: 360 °C; (20)Enthalpy of Vaporization: 103.66 kJ/mol; (21)Boiling Point: 671.7 °C at 760 mmHg; (22)Vapour Pressure: 5.87E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CSCc4ccc(cc4)C
(2)InChI: InChI=1/C26H25NO4S/c1-17-10-12-18(13-11-17)15-32-16-24(25(28)29)27-26(30)31-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1
(3)InChIKey: OQYBTXFHTQYWCZ-DEOSSOPVBE
(4)Std. InChI: InChI=1S/C26H25NO4S/c1-17-10-12-18(13-11-17)15-32-16-24(25(28)29)27-26(30)31-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1
(5)Std. InChIKey: OQYBTXFHTQYWCZ-DEOSSOPVSA-N