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81025-04-9

Basic Information
CAS No.: 81025-04-9
Name: D-Glucitol, 4-O-b-D-galactopyranosyl-, hydrate(1:1)
Molecular Structure:
Molecular Structure of 81025-04-9 (D-Glucitol, 4-O-b-D-galactopyranosyl-, hydrate(1:1))
Formula: C12H26O12
Molecular Weight: 362.38
Synonyms: D-Glucitol,4-O-b-D-galactopyranosyl-, monohydrate(9CI);
EINECS: 209-566-5
Density: 1.69 g/cm3
Melting Point: 95-98 °C(lit.)
Boiling Point: 788.5 °C at 760 mmHg
Flash Point: 430.7 °C
Solubility: Soluble in water
Appearance: white powder
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 209.76000
LogP: -5.82550
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  • D-Glucitol, 4-O-b-D-galactopyranosyl-, hydrate(1:1)

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    81025-04-9

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  • LACTITOL MONOHYDRATE

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    81025-04-9

    LACTITOL MONOHYDRATE

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    LACTITOL MONOHYDRATE Application:LACTITOL MONOHYDRATE

    Hubei Xinrunde Chemical Co., Ltd. dedicated to the development, production and marketing of chemicals which is specialized in Organic compounds; Active Pharmaceutical Ingredient(s)

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    81025-04-9

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    81025-04-9

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    low price and good quality Application:It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and D

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    81025-04-9

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  • Lactitol monohydrate

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    81025-04-9

    Lactitol monohydrate

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    Lactitol monohydrateAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Lactitol monohydrate is an organic compound with the formula C12H26O12. The IUPAC name of this chemical is (2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol hydrate. With the CAS registry number 81025-04-9, it is also named as D-glucitol, 4-O-β-D-galactopyranosyl-, hydrate (1:1) . The product's categories are Sugars; Carbohydrates & Glucosides. Besides, it should be stored in a closed cool and dry place. When you are using it, avoid contact with skin and eyes.

Physical properties about Lactitol monohydrate are: (1)ACD/LogP: -5.14; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.14; (4)ACD/LogD (pH 7.4): -5.14; (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: 9; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 101.53 Å2; (13)Flash Point: 430.7 °C; (14)Enthalpy of Vaporization: 130.71 kJ/mol; (15)Boiling Point: 788.5 °C at 760 mmHg; (16)Vapour Pressure: 9.8E-29 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O([C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO.O
(2)InChI: InChI=1/C12H24O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h4-21H,1-3H2;1H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-;/m0./s1
(3)InChIKey: LXMBXZRLTPSWCR-XBLONOLSBJ
(4)Std. InChI: InChI=1S/C12H24O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h4-21H,1-3H2;1H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-;/m0./s1
(5)Std. InChIKey: LXMBXZRLTPSWCR-XBLONOLSSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 30gm/kg (30000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of Toxicological Sciences. Vol. 19(Suppl,
mouse LD intravenous > 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Toxicological Sciences. Vol. 19(Suppl,
mouse LD subcutaneous > 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Toxicological Sciences. Vol. 19(Suppl,
mouse LD50 oral 23gm/kg (23000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Toxicological Sciences. Vol. 19(Suppl,
rat LD intravenous > 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Toxicological Sciences. Vol. 19(Suppl,
rat LD subcutaneous > 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Toxicological Sciences. Vol. 19(Suppl,
rat LD50 oral > 30gm/kg (30000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Toxicological Sciences. Vol. 19(Suppl,