InChI: | InChI=1/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28)/t20-/m0/s1 |
Specification: |
The H-Asn(Trt)-OH is an organic compound with the formula C23H22N2O3. The systematic name of this chemical is (2S)-2-ammonio-4-oxo-4-(tritylamino)butanoate. With the CAS registry number 132388-58-0, it is also named as N-Trityl-L-asparagine. The product's categories are Amino Acids Derivatives; Asparagine [Asn, N]; Amino Acids and Derivatives. It is white powder which is used in peptide synthesis. Additionally, this chemical should be stored at the temperature of -20°C.
The other characteristics of H-Asn(Trt)-OH can be summarized as: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 57.61 Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 106.75 cm3; (9)Molar Volume: 303.4 cm3; (10)Polarizability: 42.31×10-24 cm3; (11)Surface Tension: 54.6 dyne/cm; (12)Density: 1.234 g/cm3; (13)Flash Point: 341.6 °C; (14)Enthalpy of Vaporization: 99.48 kJ/mol; (15)Boiling Point: 641.2 °C at 760 mmHg; (16)Vapour Pressure: 2.56E-17 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:[O-]C(=O)[C@@H]([NH3+])CC(=O)NC(c1ccccc1)(c2ccccc2)c3ccccc3
2. InChI:InChI=1/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28)/t20-/m0/s1
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