Benzyl(3R,4R,5S)-3-hydroxy-4-(4-hydroxyphenyl)-5-(triisopropylsilanyloxy)piperidine-1-carboxylate

The 1-Piperidinecarboxylicacid, 3-hydroxy-4-(4-hydroxyphenyl)-5-[[tris(1-methylethyl)silyl]oxy]-,phenylmethyl ester, (3R,4R,5S)- is an organic compound with the formula C₂₈H₄₁NO₅Si. The systematic name of this chemical is benzyl (3R,4R,5S)-3-hydroxy-4-(4-hydroxyphenyl)-5-triisopropylsilyloxy-piperidine-1-carboxylate. With the CAS registry number 873945-27-8, it is also named as 3-Hydroxy-4-(4-hydroxy-phenyl)-5-triisopropylsilanyloxy-piperidine-1-carboxylic acid benzyl ester.

Physical properties about 1-Piperidinecarboxylicacid, 3-hydroxy-4-(4-hydroxyphenyl)-5-[[tris(1-methylethyl)silyl]oxy]-,phenylmethyl ester, (3R,4R,5S)- are: (1)ACD/LogP: 6.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.513; (4)ACD/LogD (pH 7.4): 6.512; (5)ACD/BCF (pH 5.5): 52455.258; (6)ACD/BCF (pH 7.4): 52356.637; (7)ACD/KOC (pH 5.5): 83177.125; (8)ACD/KOC (pH 7.4): 83020.742; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 79.23 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 142.674 cm³; (15)Molar Volume: 440.206 cm³; (16)Polarizability: 56.56×10^-24cm³; (17)Surface Tension: 45.187 dyne/cm; (18)Density: 1.135 g/cm³; (19)Flash Point: 312.344 °C; (20)Enthalpy of Vaporization: 92.97 kJ/mol; (21)Boiling Point: 592.849 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CN(C[C@@H]([C@H]1c2ccc(cc2)O)O)C(=O)OCc3ccccc3
(2)InChI: InChI=1/C28H41NO5Si/c1-19(2)35(20(3)4,21(5)6)34-26-17-29(28(32)33-18-22-10-8-7-9-11-22)16-25(31)27(26)23-12-14-24(30)15-13-23/h7-15,19-21,25-27,30-31H,16-18H2,1-6H3/t25-,26+,27+/m0/s1
(3)InChIKey: LFWGXIVKBPLQMD-OYUWMTPXBH
(4)Std. InChI: InChI=1S/C28H41NO5Si/c1-19(2)35(20(3)4,21(5)6)34-26-17-29(28(32)33-18-22-10-8-7-9-11-22)16-25(31)27(26)23-12-14-24(30)15-13-23/h7-15,19-21,25-27,30-31H,16-18H2,1-6H3/t25-,26+,27+/m0/s1
(5)Std. InChIKey: LFWGXIVKBPLQMD-OYUWMTPXSA-N