FMOC-D-3-BENZOTHIENYLALANINE

The IUPAC name of Fmoc-D-3-Benzothienylalanine is (2R)-3-(1-benzothiophen-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. With the CAS registry number 177966-61-9, it is also named as Benzo[b]thiophene-3-propanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(R)-. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Amino Acid Derivatives; A-amino. Besides, it should be stored at 2-8 °C. In addition, its molecular formula is C₂₆H₂₁NO₄S and molecular weight is 443.51. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of Fmoc-D-3-Benzothienylalanine can be summarized as: (1)ACD/LogP: 7.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 3.99; (5)ACD/BCF (pH 5.5): 2276.74; (6)ACD/BCF (pH 7.4): 87.16; (7)ACD/KOC (pH 5.5): 2136.72; (8)ACD/KOC (pH 7.4): 81.8; (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: 1.687; (14)Molar Refractivity: 124.62 cm³; (15)Molar Volume: 327 cm³; (16)Polarizability: 49.4×10^-24cm³; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.356 g/cm³; (19)Flash Point: 371.6 °C; (20)Enthalpy of Vaporization: 106.33 kJ/mol; (21)Boiling Point: 690.8 °C at 760 mmHg; (22)Vapour Pressure: 4.88E-20 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)Cc4c5ccccc5sc4
(2)InChI: InChI=1/C26H21NO4S/c28-25(29)23(13-16-15-32-24-12-6-5-7-17(16)24)27-26(30)31-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,15,22-23H,13-14H2,(H,27,30)(H,28,29)/t23-/m1/s1
(3)InChIKey: BQIZNDWONIMCGM-HSZRJFAPBX
(4)Std. InChI: InChI=1S/C26H21NO4S/c28-25(29)23(13-16-15-32-24-12-6-5-7-17(16)24)27-26(30)31-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,15,22-23H,13-14H2,(H,27,30)(H,28,29)/t23-/m1/s1
(5)Std. InChIKey: BQIZNDWONIMCGM-HSZRJFAPSA-N