Glucovanillin (494-08-6)

The Glucovanillin, with CAS registry number 494-08-6, belongs to the following product category: Aromatic Aldehydes & Derivatives (substituted). It has the systematic name of 4-formyl-2-methoxyphenyl β-D-glucopyranoside. And its IUPAC name is 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde. And the chemical formula of this chemical is C₁₄H₁₈O₈.

Physical properties of Glucovanillin: (1)ACD/LogP: -1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.32; (4)ACD/LogD (pH 7.4): -1.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.54; (8)ACD/KOC (pH 7.4): 4.54; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 81.68 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 75.39 cm³; (15)Molar Volume: 212.1 cm³; (16)Polarizability: 29.88×10^-24cm³; (17)Surface Tension: 63.4 dyne/cm; (18)Enthalpy of Vaporization: 90.58 kJ/mol; (19)Vapour Pressure: 4.75E-14 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](O)[C@H](O)[C@H]1O)CO)c(OC)c2
(2)InChI: InChI=1/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1
(3)InChIKey: LPRNQMUKVDHCFX-RKQHYHRCBR
(4)Std. InChI: InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1
(5)Std. InChIKey: LPRNQMUKVDHCFX-RKQHYHRCSA-N