Fmoc-N-methyl-D-phenylalanine

The IUPAC name of Fmoc-N-methyl-D-phenylalanine is (2R)-2-[9H-Fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoic acid. With the CAS registry number 138775-05-0, it is also named as N-(9-Fluorenylmethyloxycarbonyl)-N-methyl-D-phenylalanine. In addition, its molecular formula is C₂₅H₂₃NO₄ and its molecular weight is 401.45. The product's categories are amino acid derivatives and amino acids. Furthermore, it should be stored at 2-8 °C.

The other characteristics of Fmoc-N-methyl-D-phenylalanine can be summarized as: (1)ACD/LogP: 5.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 135.65; (6)ACD/BCF (pH 7.4): 4.84; (7)ACD/KOC (pH 5.5): 292.51; (8)ACD/KOC (pH 7.4): 10.44; (9)H bond acceptors: 5; (10)H bond donors: 1; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 66.84 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 113.16 cm³; (15)Molar Volume: 318.3 cm³; (16)Polarizability: 44.86×10^-24cm³; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 313.9 °C; (20)Enthalpy of Vaporization: 93.31 kJ/mol; (21)Boiling Point: 595.4 °C at 760 mmHg; (22)Vapour Pressure: 5.02E-15 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:CN(C(Cc1ccccc1)C(=O)O)C(=O)OCC2c3ccccc3-c4c2cccc4
(2)InChI:InChI=1/C25H23NO4/c1-26(23(24(27)28)15-17-9-3-2-4-10-17)25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-23H,15-16H2,1H3,(H,27,28)/t23-/m1/s1
(3)InChIKey:GBROUWPNYVBLFO-HSZRJFAPBO
(4)Std. InChI:InChI=1S/C25H23NO4/c1-26(23(24(27)28)15-17-9-3-2-4-10-17)25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-23H,15-16H2,1H3,(H,27,28)/t23-/m1/s1
(5)Std. InChIKey:GBROUWPNYVBLFO-HSZRJFAPSA-N