L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, phenylmethyl ester (108957-20-6)

The CAS register number of N-Boc-3-iodo-L-alanine benzyl ester is 108957-20-6. It also can be called as (R)-2-tert-Butoxycarbonylamino-3-iodo-propionic acid benzyl ester and the systematic name about this chemical is benzyl N-(tert-butoxycarbonyl)-3-iodo-L-alaninate. The molecular formula about this chemical is C₁₅H₂₀INO₄ and the molecular weight is 405.23.

Physical properties about N-Boc-3-iodo-L-alanine benzyl ester are: (1)ACD/LogP: 4.79; (2)ACD/LogD (pH 5.5): 4.79; (3)ACD/LogD (pH 7.4): 4.79; (4)ACD/BCF (pH 5.5): 2580.68; (5)ACD/BCF (pH 7.4): 2578.24; (6)ACD/KOC (pH 5.5): 9631.92; (7)ACD/KOC (pH 7.4): 9622.85; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 55.84Ų; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 88.27 cm³; (14)Molar Volume: 272.8 cm³; (15)Polarizability: 34.99x10^-24cm³; (16)Surface Tension: 44.9 dyne/cm; (17)Enthalpy of Vaporization: 72.07 kJ/mol; (18)Boiling Point: 460.1 °C at 760 mmHg; (19)Vapour Pressure: 1.2E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OCc1ccccc1)CI
(2)InChI: InChI=1/C15H20INO4/c1-15(2,3)21-14(19)17-12(9-16)13(18)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1
(3)InChIKey: DDXFSYLOWHQCEK-LBPRGKRZBA
(4)Std. InChI: InChI=1S/C15H20INO4/c1-15(2,3)21-14(19)17-12(9-16)13(18)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1
(5)Std. InChIKey: DDXFSYLOWHQCEK-LBPRGKRZSA-N