Pentanoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-methyl-, (3R)- (172695-33-9)

The Fmoc-L-beta-homovaline with the CAS number 172695-33-9 is also called Pentanoicacid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-methyl-, (R)-. The IUPAC name is (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid. Its molecular formula is C₂₁H₂₃NO₄. This chemical belongs to the following product categories: (1)β-Homo Amino Acids; (2)Beta amino acids. It should be stored at 2-8°C.

The properties of the Fmoc-L-beta-homovaline are: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 103.35; (6)ACD/BCF (pH 7.4): 1.7; (7)ACD/KOC (pH 5.5): 426.4; (8)ACD/KOC (pH 7.4): 7; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 97.77 cm³; (15)Molar Volume: 292.6 cm³; (16)Polarizability: 38.75×10^-24cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Enthalpy of Vaporization: 89.16 kJ/mol; (19)Vapour Pressure: 1.49×10^-13 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=1/C21H23NO4/c1-13(2)19(11-20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1
(3)InChIKey: KFDMTAMWOIQTOB-LJQANCHMBN