2-Acetamido-2-deoxy-3-O-(2-acetamido-2-deoxy-b-D-glucopyranosyl)-D-galactopyranose

The D-Galactose,2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-2-deoxy- with CAS registry number of 95673-98-6 is also known as N-Acetylglucosaminyl β(1-6)N-acetylgalactosamine. The systematic name is 2-(Acetylamino)-6-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-D-galactose. In addition, the formula is C₁₆H₂₈N₂O₁₁ and the molecular weight is 424.40. Besides, this chemical is widely distributed in the human digestive tract.

Physical properties about D-Galactose,2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-2-deoxy- are: (1)ACD/LogP: -2.23; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.23; (4)ACD/LogD (pH 7.4): -2.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.46; (8)ACD/KOC (pH 7.4): 1.46; (9)#H bond acceptors: 13; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 16; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 94.45 cm³; (14)Molar Volume: 281.5 cm³; (15)Surface Tension: 79.7 dyne/cm; (16)Density: 1.5 g/cm³; (17)Flash Point: 514.8 °C; (18)Enthalpy of Vaporization: 153.12 kJ/mol; (19)Boiling Point: 927.7 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: O=C[C@H](NC(=O)C)[C@@H](O)[C@@H](O)[C@H](O)CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO
2. InChI: InChI=1/C16H28N2O11/c1-6(21)17-8(3-19)12(24)13(25)9(23)5-28-16-11(18-7(2)22)15(27)14(26)10(4-20)29-16/h3,8-16,20,23-27H,4-5H2,1-2H3,(H,17,21)(H,18,22)/t8-,9+,10+,11+,12+,13-,14+,15+,16+/m0/s1
3. InChIKey: INPSEHNBUMPUQB-BJMGCPOCBC
4. Std. InChI: InChI=1S/C16H28N2O11/c1-6(21)17-8(3-19)12(24)13(25)9(23)5-28-16-11(18-7(2)22)15(27)14(26)10(4-20)29-16/h3,8-16,20,23-27H,4-5H2,1-2H3,(H,17,21)(H,18,22)/t8-,9+,10+,11+,12+,13-,14+,15+,16+/m0/s1
5. Std. InChIKey: INPSEHNBUMPUQB-BJMGCPOCSA-N