(S)-N-Carbobenzyloxy-4-amino-2-hydroxybutyric acid

The Butanoic acid,2-hydroxy-4-[[(phenylmethoxy)carbonyl]amino]-, (2S)-, with the CAS registry number 40371-50-4, has the IUPAC name of (2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoic acid. For being a kind of off-white crystalline powder, its product categories are including Pharmaceutical Intermediates; API intermediates; Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks. What's more, this chemical is usually applied as the intermediate of medicines, such as the for the amikacin.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.95; (4)ACD/LogD (pH 7.4): -2.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 65.07; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 62.76 cm³; (15)Molar Volume: 193 cm³; (16)Polarizability: 24.88 ×10^-24 cm³; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 269 °C; (20)Enthalpy of Vaporization: 83.63 kJ/mol; (21)Boiling Point: 521.2 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-11 mmHg at 25°C; (23)Exact Mass: 253.095023; (24)MonoIsotopic Mass: 253.095023; (25)Topological Polar Surface Area: 95.9; (26)Heavy Atom Count: 18; (27)Complexity: 276.

When you are dealing with this chemical, you should be very careful. This is irritant which may cause inflammation to the skin or other mucous membranes. Therefore, you should take the following instructions. Wear suitable protective clothing and gloves, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCCC(C(=O)O)O
(2)Isomeric SMILES: C1=CC=C(C=C1)COC(=O)NCC[C@@H](C(=O)O)O
(3)InChI: InChI=1S/C12H15NO5/c14-10(11(15)16)6-7-13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)/t10-/m0/s1
(4)InChIKey: ULKOBRDRCYROKY-JTQLQIEISA-N