b-D-Glucopyranose, pentaacetate,labeled with carbon-14 (9CI) (154395-36-5)

The 1,2,3,4,6-Penta-O-acetyl-beta-D-glucopyranose, with the cas registry number 154395-36-5, is also called Acetyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside. And the molecular formula of the chemical is C₁₆H₂₂O₁₁.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.15; (6)ACD/BCF (pH 7.4): 11.15; (7)ACD/KOC (pH 5.5): 195.56; (8)ACD/KOC (pH 7.4): 195.56; (9)#H bond acceptors: 11; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 140.73 Å²; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 85 cm³; (15)Molar Volume: 298 cm³; (16)Polarizability: 33.69×10^-24cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 188.1 °C; (20)Enthalpy of Vaporization: 69.09 kJ/mol; (21)Boiling Point: 434.8 °C at 760 mmHg; (22)Vapour Pressure: 9.23E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)C
(2)InChI: InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1
(3)InChIKey: LPTITAGPBXDDGR-IBEHDNSVBT