L-Aspartic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(1,1-dimethylethyl) ester (129460-09-9)

The systematic name of L-Fmoc-Aspartic acid alpha-tert-butyl ester is (3S)-4-tert-butoxy-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoic acid (non-preferred name) . With the CAS registry number 129460-09-9, it is also named as L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(1,1-dimethylethyl) ester ; (S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-succinic acid 1-tert-butyl ester ; 1-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartate . This product must be stored at RT and sealed in the container. It is avoided contact with skin and eyes due to its irritative property.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.16 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 3.61 ; (4)ACD/LogD (pH 7.4): 1.89 ; (5)ACD/BCF (pH 5.5): 137 ; (6)ACD/BCF (pH 7.4): 2.64 ; (7)ACD/KOC (pH 5.5): 425.18 ; (8)ACD/KOC (pH 7.4): 8.19 ; (9)#H bond acceptors: 7 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 9 ; (12)Index of Refraction: 1.576 ; (13)Molar Refractivity: 108.81 cm³ ; (14)Molar Volume: 328.7 cm³ ; (15)Polarizability: 43.13×10^-24 cm³ ; (16)Surface Tension: 51.5 dyne/cm ; (17)Enthalpy of Vaporization: 96.25 kJ/mol ; (18)Vapour Pressure: 4.21E-16 mmHg at 25°C.

People can use the following data to convert to the molecule structure. SMILES: O=C(OC(C)(C)C)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CC(=O)O; InChI: InChI=1/C23H25NO6/c1-23(2,3)30-21(27)19(12-20(25)26)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,26)/t19-/m0/s1.

The L-Fmoc-Aspartic acid alpha-tert-butyl ester has many suppliers, such as GL Biochem (Shanghai) Ltd., Chengdu Chempep New Technology Co., Ltd., Chengdu Fucheng Fine Chemicals Co., Ltd., Sichuan Emei Ronggao Biochemicals Co., Ltd. and Sichuan Goldentree Bio-pharmaceutical Co., Ltd.. The price of this product changes with the market.