N-CARBOBENZOXY-DL-SERINE

The Serine,N-[(phenylmethoxy)carbonyl]-, with the CAS registry number 2768-56-1, is also known as N-Benzyloxycarbonyl-DL-serine. It belongs to the product categories of Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids; Cbz-Amino acid series. Its EINECS number is 220-455-0. This chemical's molecular formula is C₁₁H₁₃NO₅ and molecular weight is 239.22. What's more, its IUPAC name is 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid. When using it, you should avoid contacting with skin and eyes. 

Physical properties of Serine,N-[(phenylmethoxy)carbonyl]- are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -2.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 65.07 Å²; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 58.12 cm³; (13)Molar Volume: 176.5 cm³; (14)Surface Tension: 60.1 dyne/cm; (15)Density: 1.354 g/cm³; (16)Flash Point: 248.6 °C; (17)Enthalpy of Vaporization: 79.35 kJ/mol; (18)Boiling Point: 487.5 °C at 760 mmHg; (19)Vapour Pressure: 2.56E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-methyl-2-thioxo-[1,3,4]thiadiazole-3-carboxylic acid benzyl ester, serine at the ambient temperature. This reaction will need reagent Et₃N and solvent H₂O, dioxane with the reaction time of 1 hour. The yield is about 84%.

Uses of Serine,N-[(phenylmethoxy)carbonyl]-: it can be used to produce N-benzyloxycarbonyl-DL-serine methyl ester. It will need need solvent methanol with the reaction time of 12 hours. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)O
(2)InChI: InChI=1S/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)
(3)InChIKey: GNIDSOFZAKMQAO-UHFFFAOYSA-N