D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-methyl- (204260-38-8)

The IUPAC name of Fmoc-4-methyl-D-phenylalanine is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methylphenyl)propanoic acid. With the CAS registry number 204260-38-8, it is also named as Fluorenylmethoxycarbonyl-D-4-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. Besides, this chemical should be stored at 2-8 °C.

The other characteristics of Fmoc-4-methyl-D-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): 130.96; (6)ACD/BCF (pH 7.4): 4.63; (7)ACD/KOC (pH 5.5): 286.51; (8)ACD/KOC (pH 7.4): 10.13; (9)H bond acceptors: 5; (10)H bond donors: 2; (11)Freely Rotating Bonds: 7; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 113.22 cm³; (14)Molar Volume: 319.7 cm³; (15)Surface Tension: 55.3 dyne/cm; (16)Density: 1.255 g/cm³; (17)Flash Point: 334.3 °C; (18)Melting point: 168 °C; (19)alpha: 31 °(c=1,DMF); (20)Enthalpy of Vaporization: 97.83 kJ/mol; (21)Boiling Point: 629.1 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-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)Cc4ccc(cc4)C
(2)InChI:InChI=1/C25H23NO4/c1-16-10-12-17(13-11-16)14-23(24(27)28)26-25(29)30-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1
(3)InChIKey:UXLHLZHGQPDMJQ-QHCPKHFHBA
(4)Std. InChI:InChI=1S/C25H23NO4/c1-16-10-12-17(13-11-16)14-23(24(27)28)26-25(29)30-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1
(5)Std. InChIKey:UXLHLZHGQPDMJQ-QHCPKHFHSA-N