FMOC-(S)-3-AMINO-5-HEXENOIC ACID

The (S)-3-(Fmoc-amino)-5-hexenoic acid, with the CAS registry number 270263-04-2, is also known as Fmoc-4-vinyl-L-β-homoalanine. It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₂₁H₂₁NO₄ and molecular weight is 351.4. What's more, its systematic name is (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hex-5-enoic acid. The product should be sealed and stored in containers with dry inert gas which are placed in cool, ventilated and dry places. Its storage temperature is 2 - 8 °C. You should not breathe dust. When using it, you should avoid contacting with skin and eyes.

Physical properties of (S)-3-(Fmoc-amino)-5-hexenoic acid are: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 82.15; (6)ACD/BCF (pH 7.4): 1.36; (7)ACD/KOC (pH 5.5): 356.93; (8)ACD/KOC (pH 7.4): 5.9; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 97.53 cm³; (15)Molar Volume: 287.3 cm³; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.222 g/cm³; (18)Flash Point: 302.5 °C; (19)Enthalpy of Vaporization: 90.82 kJ/mol; (20)Boiling Point: 576.6 °C at 760 mmHg; (21)Vapour Pressure: 3.88E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)C\C=C
(2)InChI: InChI=1S/C21H21NO4/c1-2-7-14(12-20(23)24)22-21(25)26-13-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h2-6,8-11,14,19H,1,7,12-13H2,(H,22,25)(H,23,24)/t14-/m0/s1
(3)InChIKey: SVCMPCVPSYAVJO-AWEZNQCLSA-N