N-Boc-N'-xanthyl-L-asparagine

WATER (Karl Fischer): Not more than 3.0%
Enantiomer: Not more than 0.5%, D-Enantiomer
Assay of Boc-Asn(Xan)-OH: Not less than 97.0%
Purity (HPLC):  Not less than 98.5%

The Boc-Asn(Xan)-OH, with the CAS registry number 65420-40-8, is also known as N-Boc-N'-xanthyl-L-asparagine. It belongs to the product categories of Amino Acids; Asparagine [Asn, N]; Boc-Amino Acids and Derivative; Boc-Amino Acid Series. This chemical's molecular formula is C₂₂H₂₄N₂O₆ and molecular weight is 412.44. Its systematic name is called N~2~-(tert-butoxycarbonyl)-N-9H-xanthen-9-yl-L-asparagine. The product should be sealed and stored at 2-8 °C.

Physical properties of Boc-Asn(Xan)-OH: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 31.98; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 100.41; (8)ACD/KOC (pH 7.4): 3.89; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.614; (13)Molar Refractivity: 108.34 cm³; (14)Molar Volume: 310.7 cm³; (15)Surface Tension: 60.6 dyne/cm; (16)Density: 1.32 g/cm³; (17)Flash Point: 347.3 °C; (18)Enthalpy of Vaporization: 100.78 kJ/mol; (19)Boiling Point: 650.7 °C at 760 mmHg; (20)Vapour Pressure: 8.06E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CC(=O)NC2c3c(Oc1c2cccc1)cccc3
(2)InChI: InChI=1/C22H24N2O6/c1-22(2,3)30-21(28)23-15(20(26)27)12-18(25)24-19-13-8-4-6-10-16(13)29-17-11-7-5-9-14(17)19/h4-11,15,19H,12H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m0/s1
(3)InChIKey: YMGDQLXBNMRJMR-HNNXBMFYBQ