Fmoc-L-aspartic acid 4-benzyl ester

The L-Asparticacid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(phenylmethyl) ester, with the CAS registry number 86060-84-6, is also known as Fmoc-Asp(OBzl)-OH. It belongs to the product categories of Amino Acids; Aspartic Acid [Asp, D]. This chemical's molecular formula is C₂₆H₂₃NO₆ and molecular weight is 445.46. What's more, its IUPAC name is (3R)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-phenylmethoxybutanoic acid and systematic name is called (2S)-4-(Benzyloxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoic acid. It is white to light yellow crystal powder.

Physical properties about L-Asparticacid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(phenylmethyl) ester are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 57.45; (6)ACD/BCF (pH 7.4): 2.9; (7)ACD/KOC (pH 5.5): 137.42 ; (8)ACD/KOC (pH 7.4): 6.92; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 101.93 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 119.44 cm³; (15)Molar Volume: 339.9 cm³; (16)Surface Tension: 58.1 dyne/cm; (17) Density: 1.31 g/cm³; (18)Flash Point: 369.4 °C; (19)Enthalpy of Vaporization: 105.82 kJ/mol; (20)Boiling Point: 687.2 °C at 760 mmHg; (21)Vapour Pressure: 7.91E-20 mmHg at 25 °C; (22)Melting Point: 120-130 °C.

When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. In addition, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCC4c2ccccc2c3ccccc34
(2) InChI: InChI=1/C26H23NO6/c28-24(32-15-17-8-2-1-3-9-17)14-23(25(29)30)27-26(31)33-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,27,31)(H,29,30)/t23-/m0/s1
(3) InChIKey: OQGAELAJEGGNKG-QHCPKHFHBE