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Lactobionic acid

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Lactobionic acid

EINECS 202-538-3
CAS No. 96-82-2 Density 1.79 g/cm3
PSA 217.60000 LogP -5.66890
Solubility 10 g/100 mL Melting Point 113-118 °C(lit.)
Formula C12H22O12 Boiling Point 864.7 °C at 760 mmHg
Molecular Weight 358.299 Flash Point 319.1 °C
Transport Information N/A Appearance White to off-white crystalline powder
Safety 24/25-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 96-82-2 (Lactobionic acid) Hazard Symbols IrritantXi

Lactobionicacid (7CI,8CI);Lactonic acid (6CI);4-(b-D-Galactosido)-D-gluconic acid;D-Lactobionic acid;Galactosylgluconic acid;4-O-β-D-galactopyranosyl-D-gluconic acid;(2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexanoic acid;4-(b-D-Galactosido)-D-gluconic Acid;Acide 4-O-β-D-galactopyranosyl-D-gluconique;Acide (2R,3R,4R,5R)-2,3,5,6-tétrahydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}hexano?que;4-O-b-D-galactopyranosyl-D-gluconic acid;

Article Data 27

Lactobionic acid Specification

The CAS registry number of Lactobionic acid is 96-82-2. The IUPAC name is 4-O-β-D-galactopyranosyl-D-gluconic acid. Its EINECS registry number is 202-538-3. In addition, the molecular formula is C12H22O12 and the molecular weight is 358.30. It is a kind of white to off-white crystalline powder and belongs to the classes of Biochemistry; Disaccharides; Sugar Acids; Sugars. What's more, it can form salts with mineral cations such as calcium, potassium, sodium and zinc. And it can be used in the cosmetics industry as an antioxidant and in the pharmaceutical industry as a salt form.

Physical properties about Lactobionic acid are: (1)ACD/LogP: -4.06; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -6.27; (4)ACD/LogD (pH 7.4): -7.65; (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: 12; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 118.6 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 72.77 cm3; (15)Molar Volume: 200 cm3; (16)Polarizability: 28.85 ×10-24cm3; (17)Surface Tension: 119.8 dyne/cm; (18)Density: 1.79 g/cm3; (19)Flash Point: 319.1 °C; (20)Enthalpy of Vaporization: 142.81 kJ/mol; (21)Boiling Point: 864.7 °C at 760 mmHg; (22)Vapour Pressure: 7.15E-35 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and avoid contact with skin and eyes. In case of 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(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H](O)CO
(2)InChI: InChI=1/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1

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