ALPHA-LACTOSE MONOHYDRATE

The α-D-Glucopyranose, 4-O-β-D-galactopyranosyl-, hydrate(1:1), with CAS registry number 5989-81-1, has the systematic name of 4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose hydrate (1:1). This chemical is a kind of white powder. And it should be stored in air tight containers. The chemical formula of this chemical is C₁₂H₂₄O₁₂. What's more, the main use of this chemical is for analytical reagent and stratographic analysis reagent.

Physical properties of α-D-Glucopyranose, 4-O-β-D-galactopyranosyl-, hydrate(1:1): (1)ACD/LogP: -3.41; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.41; (4)ACD/LogD (pH 7.4): -3.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 101.53 Å²; (13)Flash Point: 357.8 °C; (14)Enthalpy of Vaporization: 112.36 kJ/mol; (15)Boiling Point: 667.9 °C at 760 mmHg; (16)Vapour Pressure: 1.08E-20 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The α-D-Glucopyranose, 4-O-β-D-galactopyranosyl-, hydrate(1:1) irritates to eyes, respiratory system and skin. And it has limited evidence of a carcinogenic effect. You should avoid contact with skin and eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]2[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O[C@H](O)[C@@H]2O)CO.O
(2)InChI: InChI=1/C12H22O11.H2O/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;1H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+;/m1./s1
(3)InChIKey: WSVLPVUVIUVCRA-KPKNDVKVBM
(4)Std. InChI: InChI=1S/C12H22O11.H2O/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;1H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+;/m1./s1
(5)Std. InChIKey: WSVLPVUVIUVCRA-KPKNDVKVSA-N