L-Serine,N-(triphenylmethyl)-, methyl ester (4465-44-5)

The N-Trityl-L-serine methyl ester, with the CAS registry number 4465-44-5, is also known as Methyl N-trityl-L-serinate. It belongs to the product categories of Pharmacetical; Amino Acid Derivatives; Peptide Synthesis; Serine. This chemical's molecular formula is C₂₃H₂₃NO₃ and formula weight is 361.43. What's more, its IUPAC name is called methyl (2S)-3-hydroxy-2-(tritylamino)propanoate.

Physical properties of N-Trityl-L-serine methyl ester: (1)ACD/LogP: 6.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.06; (4)ACD/LogD (pH 7.4): 6.07; (5)ACD/BCF (pH 5.5): 23797.15; (6)ACD/BCF (pH 7.4): 24104.64; (7)ACD/KOC (pH 5.5): 47064.89; (8)ACD/KOC (pH 7.4): 47673.03; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 104.93 cm³; (14)Molar Volume: 308.9 cm³; (15)Surface Tension: 47.3 dyne/cm; (16)Density: 1.169 g/cm³; (17)Flash Point: 279.3 °C; (18)Enthalpy of Vaporization: 85.81 kJ/mol; (19)Boiling Point: 538.2 °C at 760 mmHg; (20)Vapour Pressure: 2.04E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C(CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
(2)Isomeric SMILES: COC(=O)[C@H](CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
(3)InChI: InChI=1S/C23H23NO3/c1-27-22(26)21(17-25)24-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24-25H,17H2,1H3/t21-/m0/s1
(4)InChIKey: LXAWQKKSNNYYEK-NRFANRHFSA-N