| Specification: |
This chemical is called Methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate, and its CAS registry number is 220587-29-1. With the molecular formula of C21H32BNO6, its molecular weight is 405.29.
Other characteristics of the Methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate can be summarised as followings: (1)#H bond acceptors: 7; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 8; (4)Polar Surface Area: 83.09 Å2; (5)Index of Refraction: 1.505; (6)Molar Refractivity: 108.479 cm3; (7)Molar Volume: 365.579 cm3; (8)Polarizability: 43.004×10-24cm3; (9)Surface Tension: 39.111 dyne/cm; (10)Density: 1.109 g/cm3; (11)Flash Point: 269.434 °C; (12)Enthalpy of Vaporization: 79.521 kJ/mol; (13)Boiling Point: 521.897 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)CC(C(=O)OC)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C21H32BNO6/c1-19(2,3)27-18(25)23-16(17(24)26-8)13-14-9-11-15(12-10-14)22-28-20(4,5)21(6,7)29-22/h9-12,16H,13H2,1-8H3,(H,23,25)/t16-/m0/s1
(3)InChIKey: OGZJASWLLYAZIA-INIZCTEOBI
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