L-Alanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[[(2-propen-1-yloxy)carbonyl]amino]- (188970-92-5)

The systematic name of Fmoc-3-[[(Allyloxy)carbonyl]amino]-L-alanine is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-{[(prop-2-en-1-yloxy)carbonyl]amino}-L-alanine. With the CAS registry number 188970-92-5, it is also named as Fmoc-Dap(Alloc)-OH. The product's category is Amino Acids. In addition, its molecular formula is C₂₂H₂₂N₂O₆ and its molecular weight is 410.42. This chemcal should be stored at 2-8 °C. Besides, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of Fmoc-3-[[(Allyloxy)carbonyl]amino]-L-alanine can be summarized as: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 7.24; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.77; (8)ACD/KOC (pH 7.4): 1.81; (9)H bond acceptors: 8; (10)H bond donors: 3; (11)Freely Rotating Bonds: 10; (12)Polar Surface Area: 85.38 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 107.54 cm³; (15)Molar Volume: 316.1 cm³; (16)Polarizability: 42.63×10^-24cm³; (17)Surface Tension: 55.5 dyne/cm; (18)Density: 1.298 g/cm³; (19)Flash Point: 352.1 °C; (20)Enthalpy of Vaporization: 101.86 kJ/mol; (21)Boiling Point: 658.6 °C at 760 mmHg; (22)Vapour Pressure: 3.04E-18 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)CNC(=O)OC\C=C
(2)InChI:InChI=1/C22H22N2O6/c1-2-11-29-21(27)23-12-19(20(25)26)24-22(28)30-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1
(3)InChIKey:MPVGCCAXXFLGIU-IBGZPJMEBU
(4)Std. InChI:InChI=1S/C22H22N2O6/c1-2-11-29-21(27)23-12-19(20(25)26)24-22(28)30-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1
(5)Std. InChIKey:MPVGCCAXXFLGIU-IBGZPJMESA-N