Benzenepentanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)- (219967-74-5)

The (S)-3-(Fmoc-amino)-5-phenylpentanoic acid, with the cas registry number 219967-74-5, has the systematic name of (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-phenylpentanoic acid. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs and B-Amino. And the molecular formula of the chemical is C₂₆H₂₅NO₄. When you are dealing with the chemical, you should be cautious not to breathe dust and avoid contact with skin and eyes.

The characteristics of this chemical are as followings: (1)ACD/LogP: 5.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.52; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 789.77; (6)ACD/BCF (pH 7.4): 13.14; (7)ACD/KOC (pH 5.5): 1782.06; (8)ACD/KOC (pH 7.4): 29.65; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 117.66 cm³; (15)Molar Volume: 336.4 cm³; (16)Polarizability: 46.64×10^-24cm³; (17)Surface Tension: 54.4 dyne/cm; (18)Density: 1.234 g/cm³; (19)Flash Point: 351.5 °C; (20)Enthalpy of Vaporization: 101.71 kJ/mol; (21)Boiling Point: 657.5 °C at 760 mmHg; (22)Vapour Pressure: 3.47E-18 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CCc4ccccc4
(2)InChI: InChI=1/C26H25NO4/c28-25(29)16-19(15-14-18-8-2-1-3-9-18)27-26(30)31-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24H,14-17H2,(H,27,30)(H,28,29)/t19-/m0/s1
(3)InChIKey: FYJRCXFXXJMPFO-IBGZPJMEBY