D-Cysteine,S-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- (131766-22-8)

The systematic name of Fmoc-S-tert·butyl-D-Cysteine is S-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-cysteine. With the CAS registry number 131766-22-8, it is also named as D-Cysteine,S-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-. The product should be stored at 2-8 °C. In addition, its molecular formula is C₂₂H₂₅NO₄S and its molecular weight is 399.5.

The other characteristics of Fmoc-S-tert·butyl-D-Cysteine can be summarized as: (1)ACD/LogP: 5.84; (2)# of Rule of 5 Violations: 1; (3)H bond acceptors: 5; (4)H bond donors: 2; (5)Freely Rotating Bonds: 8; (6)Polar Surface Area: 81.14 Å²; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 110.4 cm³; (9)Molar Volume: 322.7 cm³; (10)Polarizability: 43.76×10^-24cm³; (11)Surface Tension: 52 dyne/cm; (12)Density: 1.237 g/cm³; (13)Flash Point: 318.7 °C; (14)Enthalpy of Vaporization: 94.37 kJ/mol; (15)Boiling Point: 603.4 °C at 760 mmHg; (16)Vapour Pressure: 2.08E-15 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CSC(C)(C)C
(2)InChI:InChI=1/C22H25NO4S/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
(3)InChIKey:IXAYZHCPEYTWHW-LJQANCHMBE
(4)Std. InChI:InChI=1S/C22H25NO4S/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
(5)Std. InChIKey:IXAYZHCPEYTWHW-LJQANCHMSA-N