FMOC-D-4-AMINOMETHYLPHENYLALANINE(BOC)

The CAS register number of D-Phenylalanine,4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- is 268731-06-2. It also can be called as Fmoc-(boc-4-aminomethyl)-D-phenylalanine and the systematic name about this chemical is 4-{[(tert-butoxycarbonyl)amino]methyl}-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine. The molecular formula about this chemical is C₃₀H₃₂N₂O₆ and the molecular weight is 516.58. It belongs to the following product categories which include Phenylalanine analogs and other aromatic alpha amino acids and so on. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes. The storage temperature is 0-5 °C.

Physical properties about D-Phenylalanine,4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- are: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 175.14; (6)ACD/BCF (pH 7.4): 6.53; (7)ACD/KOC (pH 5.5): 344.52; (8)ACD/KOC (pH 7.4): 12.85; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 85.38 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 141.81 cm³; (15)Molar Volume: 414.6 cm³; (16)Polarizability: 56.22x10^-24cm³; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 397.9 °C; (20)Enthalpy of Vaporization: 112.46 kJ/mol; (21)Boiling Point: 734.3 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-22 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCc1ccc(cc1)C[C@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C30H32N2O6/c1-30(2,3)38-28(35)31-17-20-14-12-19(13-15-20)16-26(27(33)34)32-29(36)37-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)/t26-/m1/s1
(3)InChIKey: QSPDPKLGXGMDAY-AREMUKBSBU
(4)Std. InChI: InChI=1S/C30H32N2O6/c1-30(2,3)38-28(35)31-17-20-14-12-19(13-15-20)16-26(27(33)34)32-29(36)37-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)/t26-/m1/s1
(5)Std. InChIKey: QSPDPKLGXGMDAY-AREMUKBSSA-N