FMOC-(S)-3-AMINO-4-(4-IODO-PHENYL)-BUTYRIC ACID

The CAS register number of Benzenebutanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-iodo-,(bS)- is 270065-72-0. It also can be called as N-(9-Fluorenylmethoxycarbonyl)-(s)-3-amino-4-(4-iodophenyl)butanoic acid and the systematic name about this chemical is (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(4-iodophenyl)butanoic acid. The molecular formula about this chemical is C₂₅H₂₂INO₄ and the molecular weight is 527.35. It belongs to the following product categories which include 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs and so on. This chemical is irritant.

Physical properties about Benzenebutanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-iodo-,(bS)- are: (1)ACD/LogP: 6.65; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.36; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 3438.36; (6)ACD/BCF (pH 7.4): 57.37; (7)ACD/KOC (pH 5.5): 5081.51; (8)ACD/KOC (pH 7.4): 84.79; (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: 1.657; (14)Molar Refractivity: 125.94 cm³; (15)Molar Volume: 342 cm³; (16)Polarizability: 49.92x10^-24cm³; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.541 g/cm³; (19)Flash Point: 359.8 °C; (20)Enthalpy of Vaporization: 103.6 kJ/mol; (21)Boiling Point: 671.3 °C at 760 mmHg; (22)Vapour Pressure: 6.19E-19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1/C25H22INO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
(3)InChIKey: HTZYQICRFPOZOG-SFHVURJKBE
(4)Std. InChI: InChI=1S/C25H22INO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
(5)Std. InChIKey: HTZYQICRFPOZOG-SFHVURJKSA-N