Fmoc-D-3-Thienylalanine

The IUPAC name of Fmoc-D-3-Thienylalanine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid. With the CAS registry number 220497-90-5, it is also named as Fmoc-D-Ala(3-Thienyl)-OH. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Amino Acid Derivatives; A-amino. Besides, it is off-white crystalline powder, which should be stored in closed, cool and dry place at 2-8 °C. In addition, its molecular formula is C₂₂H₁₉NO₄S and molecular weight is 393.46. When you are using this chemical, please avoid contact with skin and eyes.

The other characteristics of Fmoc-D-3-Thienylalanine can be summarized as: (1)ACD/LogP: 5.08; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 84.08 Å²; (7)Index of Refraction: 1.649; (8)Molar Refractivity: 106.78 cm³; (9)Molar Volume: 292.9 cm³; (10)Polarizability: 42.33×10^-24cm³; (11)Surface Tension: 60.6 dyne/cm; (12)Density: 1.343 g/cm³; (13)Flash Point: 332.6 °C; (14)Melting Point: 184.2 °C; (15)Enthalpy of Vaporization: 97.46 kJ/mol; (16)Boiling Point: 626.3 °C at 760 mmHg; (17)Vapour Pressure: 1.5E-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)Cc4ccsc4
(2)InChI: InChI=1/C22H19NO4S/c24-21(25)20(11-14-9-10-28-13-14)23-22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20H,11-12H2,(H,23,26)(H,24,25)/t20-/m1/s1
(3)InChIKey: LSBZJMRHROCYGY-HXUWFJFHBV
(4)Std. InChI: InChI=1S/C22H19NO4S/c24-21(25)20(11-14-9-10-28-13-14)23-22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20H,11-12H2,(H,23,26)(H,24,25)/t20-/m1/s1
(5)Std. InChIKey: LSBZJMRHROCYGY-HXUWFJFHSA-N