4-O-beta-D-Galactopyranosyl-D-glucitol hydrate (1:1)

Basic Information

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CAS Number

81025-04-9

Molecular Formula

C12H26O12

Molecular Weight

362.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

95-98 °C

Boiling Point

788.5°C at 760 mmHg

Density

1.69

Water Solubility

Soluble in water.

Flash Point

430.7 °C

Refractive Index

1.634

Specific Rotation

D22 +12.3°

SMILES

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C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O.O

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

InChIKey

LXMBXZRLTPSWCR-XBLONOLSSA-N

LogP

-6.585899999999991

Topological Polar Surface Area

232.02999999999997 Å²

Hydrogen Bond Donor/Acceptor

11 / 12

Complexity

343

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(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
LACTITOL MONOHYDRATE [MI]
D70309
Lactitol monohydrate; 4-O-(beta-d-Galactopyranosyl)-d-glucitol monohydrate
4-O-beta-D-Galactopyranosyl-D-glucitol monohydrate
HMS2231O06
NCGC00256064-01
DTXSID6047028
SMR000499577
MLS001076675
MFCD00150767
AKOS016000313
AS-57306
CS-4859
NSC 759131
SCHEMBL230581
MLS002207095
A864616
pizensy
DTXCID4027028
D02039
LACTITOL MONOHYDRATE [EP MONOGRAPH]
MLS001361361
LACTITOL MONOHYDRATE [WHO-DD]
Lactitol, United States Pharmacopeia (USP) Reference Standard
D-Lactitol monohydrate, ~99%
(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
Portolac (TN)
s5282
HY-B1389
(2S,3R,4R,5R)-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol hydrate

MDL Number

MFCD00150767

FAQ

What are the physical and chemical properties of 4-O-beta-D-Galactopyranosyl-D-glucitol hydrate (CAS: 81025-04-9)?

4-O-beta-D-Galactopyranosyl-D-glucitol hydrate (CAS: 81025-04-9) is a crystalline compound with a molecular weight of approximately 460.34 g/mol. It has a melting point of around 200°C and is slightly soluble in water. This compound is reactive, particularly with acids and bases, and is stable under neutral conditions.

How is 4-O-beta-D-Galactopyranosyl-D-glucitol hydrate (CAS: 81025-04-9) typically synthesized?

4-O-beta-D-Galactopyranosyl-D-glucitol hydrate (CAS: 81025-04-9) is synthesized through a glycosylation reaction where D-glucitol is coupled with beta-D-galactopyranosyl chloride in the presence of a catalytic amount of a base such as triethylamine. The yield is typically around 85-90%, and the product is isolated by recrystallization from water.

What industries use 4-O-beta-D-Galactopyranosyl-D-glucitol hydrate (CAS: 81025-04-9)?

4-O-beta-D-Galactopyranosyl-D-glucitol hydrate (CAS: 81025-04-9) is used primarily in the pharmaceutical and food industries. It serves as a building block for complex carbohydrates and can be utilized in the production of certain medications and food additives due to its specific chemical structure.

What precautions should be taken when handling 4-O-beta-D-Galactopyranosyl-D-glucitol hydrate (CAS: 81025-04-9)?

When handling 4-O-beta-D-Galactopyranosyl-D-glucitol hydrate (CAS: 81025-04-9), it is recommended to wear gloves, safety goggles, and a laboratory coat. Ensure that all work is conducted in a well-ventilated area or under a fume hood. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures in case of exposure or spillage.