L-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-methyl- (211637-74-0)

The IUPAC name of Fmoc-3-methyl-L-phenylalanine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methylphenyl)propanoic acid. With the CAS registry number 211637-74-0, it is also named as N-Fluorenylmethoxycarbonyl-L-3-methylphenylalanine. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Amino Acid Derivatives; A-Amino. In addition, its molecular formula is C₂₅H₂₃NO₄ and its molecular weight is 401.46. This chemical is beige crystal, Besides, it should be stored in sealed container which should be placed in a cool, dry place away from oxidizing agents.

The other characteristics of Fmoc-3-methyl-L-phenylalanine can be summarized as: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 130.03; (6)ACD/BCF (pH 7.4): 4.62; (7)ACD/KOC (pH 5.5): 284.48; (8)ACD/KOC (pH 7.4): 10.1; (9)H bond acceptors: 5; (10)H bond donors: 2; (11)Freely Rotating Bonds: 7; (12)alpha: -36 °(c=1,DMF); (13)Index of Refraction: 1.626; (14)Molar Refractivity: 113.22 cm³; (15)Molar olume: 319.7 cm³; (16)Melting point: 130 °C; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.255 g/cm³; (19)Flash Point: 334 °C; (20)Enthalpy of Vaporization: 97.76 kJ/mol; (21)Boiling Point: 628.6 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-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)OCC3c1ccccc1c2c3cccc2)Cc4cccc(c4)C
(2)InChI:InChI=1/C25H23NO4/c1-16-7-6-8-17(13-16)14-23(24(27)28)26-25(29)30-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1
(3)InChIKey:NJXPSSISZLAXRE-HSZRJFAPBQ
(4)Std. InChI:InChI=1S/C25H23NO4/c1-16-7-6-8-17(13-16)14-23(24(27)28)26-25(29)30-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1
(5)Std. InChIKey:NJXPSSISZLAXRE-HSZRJFAPSA-N