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CAS No.: | 4618-18-2 |
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Name: | Lactulose |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C12H22O11 |
Molecular Weight: | 342.3 |
Synonyms: | MLS-50;Piarle;Enulose;Duphalac;Liforos;Lagnos;Lactulose;Cholac;cephulac;laevolac;Caloryl; |
EINECS: | 225-027-7 |
Density: | 1.77 g/cm3 |
Melting Point: | ~169 °C (dec.) |
Boiling Point: | 680.5 °C at 760 mmHg |
Flash Point: | 365.4 °C |
Solubility: | 76.4 G/100 ML (30 ºC) |
Appearance: | White powder |
Safety: | 24/25 |
PSA: | 197.37000 |
LogP: | -5.55300 |
Lactose
lactulose
Conditions | Yield |
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With sodium carbonate In water at 120℃; for 0.5h; Temperature; Time; | 29.7% |
Conditions | Yield |
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With calcium hydroxide; water | |
With β-galactosidase from kluyveromyces lactis; glucose isomerase from streptomyces rubiginosus In aq. phosphate buffer at 53.5℃; for 3h; pH=7.5; Catalytic behavior; Temperature; Concentration; Enzymatic reaction; | |
With Ca3.4AlO4.9 In water at 89.84℃; under 7500.75 Torr; for 3h; Reagent/catalyst; Time; Autoclave; Inert atmosphere; Green chemistry; |
Conditions | Yield |
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With Zeolite Na-X; water at 85℃; for 10h; Product distribution; var. reag.: var. minerals and zeolites; var. pH, isomerization; |
Conditions | Yield |
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With sodium nitrate; Pd-BaSO4; acetic acid Hydrogenation; |
D-Fructose
lactose
lactulose
Conditions | Yield |
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With β-galactosidase from Aspergillus oryzae at 40℃; pH=4.5; aq. buffer; Enzymatic reaction; |
Conditions | Yield |
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With β-galactosidase from Aspergillus oryzae at 40℃; pH=4.5; aq. buffer; Enzymatic reaction; |
D-(+)-lactose
A
lactulose
B
β-D-galactopyranosyl-(1->4)-D-mannose
Conditions | Yield |
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With recombinant cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus, mutant G4-C5 (R5M/A12S/I52V/F231L/K328I) In aq. buffer at 80℃; for 4h; pH=7.5; Kinetics; Thermodynamic data; Reagent/catalyst; pH-value; Temperature; Enzymatic reaction; |
Conditions | Yield |
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With pyridine In dichloromethane at 0 - 20℃; for 16h; | 87.2% |
Conditions | Yield |
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With pyridine at 20℃; for 0.15h; | 83.2% |
Conditions | Yield |
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With recombinant Aspergillus nidulans FGSC GH36 α-galactosidase at 37℃; for 3h; pH=5; aq. acetate buffer; Enzymatic reaction; regioselective reaction; | 38% |
This chemical is called Lactulose, and its CAS registry number is 4618-18-2. With the molecular formula of C12H22O11, its product categories are Sugars, Carbohydrates & Glucosides; Basic Sugars (Mono & Oligosaccharides); Biochemistry; Disaccharides. In addition, this chemical should be sealed in the cool and dry place.
Physical properties about Lactulose are: (1)ACD/LogP: -2.885; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.88; (4)ACD/LogD (pH 7.4): -2.88; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 11; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 13; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 70.859 cm3; (14)Molar Volume: 192.83 cm3; (15)Polarizability: 28.091 10-24cm3; (16)Surface Tension: 113.033996582031 dyne/cm; (17)Density: 1.775 g/cm3; (18)Flash Point: 365.377 °C; (19)Enthalpy of Vaporization: 114.233 kJ/mol; (20)Boiling Point: 680.539 °C at 760 mmHg
Preparation and Uses: Lactulose could be obtained by the Lactose under the action of alkali isomerization. It promotes the proliferation of intestinal bifidobacteria, and it's conducive to good health.
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](CO)OC2(O)CO;
2.InChI: InChI=1/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12?/m1/s1;
3.InChIKey: JCQLYHFGKNRPGE-DNMRROERBC;
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD | oral | > 12gm/kg (12000mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973. |
mouse | LD50 | intraperitoneal | 15800mg/kg (15800mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973. |
mouse | LD50 | intravenous | 9960mg/kg (9960mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973. |
mouse | LD50 | oral | 31gm/kg (31000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973. | |
mouse | LD50 | oral | 31gm/kg (31000mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973. |
mouse | LD50 | subcutaneous | 29600mg/kg (29600mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973. |
rabbit | LDLo | oral | 24gm/kg (24000mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: MUSCLE WEAKNESS | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973. |
rat | LD50 | intraperitoneal | 16gm/kg (16000mg/kg) | Bollettino Chimico Farmaceutico. Vol. 115, Pg. 596, 1976. | |
rat | LD50 | intravenous | 13500mg/kg (13500mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973. | |
rat | LD50 | intravenous | 13500mg/kg (13500mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973. |
rat | LD50 | oral | 18160mg/kg (18160mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 96, Pg. 301, 1990. | |
rat | LD50 | subcutaneous | 33500mg/kg (33500mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973. |
women | TDLo | unreported | 40mg/kg/3D (40mg/kg) | Drug Intelligence and Clinical Pharmacy. Vol. 18, Pg. 70, 1984. |