4-Formylphenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside (70622-68-3)

The 4-Formylphenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside, with cas registry number 70622-68-3, has the systematic name of 4-formylphenyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranoside. Besides this, it is also called benzaldehyde, 4-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-.

Physical properties about this chemical are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 11; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 134.74 Å²; (7)Index of Refraction: 1.54; (8)Molar Refractivity: 107.21 cm³; (9)Molar Volume: 341.6 cm³; (10)Polarizability: 42.5×10^-24cm³; (11)Surface Tension: 53.1 dyne/cm; (12)Enthalpy of Vaporization: 94.58 kJ/mol; (13)Vapour Pressure: 2.63E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccc(O[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1NC(=O)C)COC(=O)C)cc2
(2)InChI: InChI=1/C21H25NO10/c1-11(24)22-18-20(30-14(4)27)19(29-13(3)26)17(10-28-12(2)25)32-21(18)31-16-7-5-15(9-23)6-8-16/h5-9,17-21H,10H2,1-4H3,(H,22,24)/t17-,18-,19-,20-,21-/m1/s1
(3)InChIKey: FVQYHIYFHAVCLA-PFAUGDHABT
(4)Std. InChI: InChI=1S/C21H25NO10/c1-11(24)22-18-20(30-14(4)27)19(29-13(3)26)17(10-28-12(2)25)32-21(18)31-16-7-5-15(9-23)6-8-16/h5-9,17-21H,10H2,1-4H3,(H,22,24)/t17-,18-,19-,20-,21-/m1/s1
(5)Std. InChIKey: FVQYHIYFHAVCLA-PFAUGDHASA-N