4-O-β-D-galactopyranosyl-β-D-glucopyranose (5965-66-2)

The b-D-Glucopyranose, 4-O-b-D-galactopyranosyl-, with the cas registry number 5965-66-2, has the systematic name of 4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose. And its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol. This is a kind of white solid, with its product categories including Oligosaccharide Compounds; Oligosaccharides. When you are using this chemical, you should avoid contacting with the skin and eyes.

The characteristics of this chemical are as follows: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 11; (7)#H bond donors: 8; (8)#Freely Rotating Bonds: 12; (9)Polar Surface Area: 189.53; (10)Index of Refraction: 1.652; (11)Molar Refractivity: 70.805 cm³; (12)Molar Volume: 193.644 cm³; (13)Polarizability: 28.069 ×10^-24 cm³; (14)Surface Tension: 110.89 dyne/cm; (15)Density: 1.768 g/cm³; (16)Flash Point: 357.752 °C; (17)Enthalpy of Vaporization: 112.363 kJ/mol; (18)Boiling Point: 667.931 °C at 760 mmHg; (19)Exact Mass: 342.116212; (20)MonoIsotopic Mass: 342.116212; (21)Topological Polar Surface Area: 190; (22)Heavy Atom Count: 23; (23)Formal Charge: 0; (24)Complexity: 382.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
(2)Isomeric SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
(3)InChI: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
(4)InChIKey: GUBGYTABKSRVRQ-DCSYEGIMSA-N