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96-82-2

Basic Information
CAS No.: 96-82-2
Name: D-Gluconic acid, 4-O-b-D-galactopyranosyl-
Molecular Structure:
Molecular Structure of 96-82-2 (D-Gluconic acid, 4-O-b-D-galactopyranosyl-)
Formula: C12H22O12
Molecular Weight: 358.30
Synonyms: 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;
EINECS: 202-538-3
Density: 1.79 g/cm3
Melting Point: 113-118 °C(lit.)
Boiling Point: 864.7 °C at 760 mmHg
Flash Point: 319.1 °C
Solubility: 10 g/100 mL
Appearance: White to off-white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 24/25-36-26
Transport Information:
PSA: 217.60000
LogP: -5.66890
Downstream Products
3847-29-8
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  • Casno:

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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
(3)InChIKey: JYTUSYBCFIZPBE-AMTLMPIIBM