Fmoc-D-2-Thienylalanine (201532-42-5)

The IUPAC name of Fmoc-D-2-Thienylalanine is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-2-ylpropanoic acid. With the CAS registry number 201532-42-5, it is also named as N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-thienyl)-D-alanine. The product's categories are Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Amino Acid Derivatives; A-Amino. Besides, this chemical is white crystalline powder which should be stored in closed, cool and dry place at 0-6 °C. In addition, its molecular formula is C₂₂H₁₉NO₄S and its molecular weight is 393.46. And when you are using this chemical, please avoid contact with skin and eyes.

The other characteristics of Fmoc-D-2-Thienylalanine can be summarized as: (1)ACD/LogP: 5.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 21.79; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 70.34; (8)ACD/KOC (pH 7.4): 3.33; (9)H bond acceptors: 5; (10)H bond donors: 2; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 84.08 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 106.78 cm³; (15)Molar Volume: 292.9 cm³; (16)Polarizability: 42.33×10^-24cm³; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.343 g/cm³; (19)Flash Point: 330.8 °C; (20)Melting Point: 169 °C; (21)Enthalpy of Vaporization: 97.06 kJ/mol; (22)Boiling Point: 623.4 °C at 760 mmHg; (23)Vapour Pressure: 2.11E-16 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)OCC3c1ccccc1c2ccccc23)Cc4sccc4
(2)InChI:InChI=1/C22H19NO4S/c24-21(25)20(12-14-6-5-11-28-14)23-22(26)27-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-11,19-20H,12-13H2,(H,23,26)(H,24,25)/t20-/m1/s1
(3)InChIKey:PXBMQFMUHRNKTG-HXUWFJFHBY
(4)Std. InChI:InChI=1S/C22H19NO4S/c24-21(25)20(12-14-6-5-11-28-14)23-22(26)27-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-11,19-20H,12-13H2,(H,23,26)(H,24,25)/t20-/m1/s1
(5)Std. InChIKey:PXBMQFMUHRNKTG-HXUWFJFHSA-N