LACTO-N-HEXAOSE

Basic Information

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CAS Number

64003-51-6

Molecular Formula

C40H68N2O31

Molecular Weight

1072.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)O)O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)O)CO)OC5C(C(C(C(O5)CO)O)O)O)O

InChI

InChI=1S/C40H68N2O31/c1-10(49)41-19-26(58)33(71-38-29(61)27(59)22(54)14(5-45)66-38)17(8-48)68-36(19)64-9-18-25(57)35(31(63)40(69-18)70-32(13(52)4-44)21(53)12(51)3-43)73-37-20(42-11(2)50)34(24(56)16(7-47)65-37)72-39-30(62)28(60)23(55)15(6-46)67-39/h3,12-40,44-48,51-63H,4-9H2,1-2H3,(H,41,49)(H,42,50)

InChIKey

ZDZMLVPSYYRJNI-UHFFFAOYSA-N

LogP

-13.97020000000003

Topological Polar Surface Area

531.7100000000002 Å²

Hydrogen Bond Donor/Acceptor

20 / 33

Complexity

1730

Synonyms & References

English

LACTO-N-HEXAOSE
Lacto-N-hexaose (LNH)
β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-β-D-Gal-(1→4)-D-Glc
3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1&reg
4)-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1&reg
6)]-O-b-D-galactopyranosyl-(1&reg
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
LNThex
D-Glucose, O-beta-D-galactopyranosyl-(1-3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-6))-O-beta-D-galactopyranosyl-(1-4)-
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)

MDL Number

MFCD00679120

FAQ

What are the physical and chemical properties of Lacto-N-hexaose (CAS: 64003-51-6)?

Lacto-N-hexaose is a disaccharide with a molecular weight of approximately 362.31 g/mol. It is a white crystalline powder with a melting point of 220-223°C. Lacto-N-hexaose is less soluble in water than glucose but more soluble than lactose. It reacts easily with acids and enzymes but is stable under neutral conditions.

How is Lacto-N-hexaose (CAS: 64003-51-6) typically synthesized?

Lacto-N-hexaose is synthesized through enzymatic hydrolysis of lactose or through chemical methods involving sequential glycosylation reactions. Enzymatic methods involve the use of β-galactosidase, while chemical methods use precursors like glucose and galactose with appropriate protecting groups and catalysts to achieve high selectivity and yield.

What industries use Lacto-N-hexaose (CAS: 64003-51-6)?

Lacto-N-hexaose is used in the pharmaceutical industry for its prebiotic properties, in food technology as a functional ingredient, and in biotechnology for its role in carbohydrate research. It is also utilized in the development of sensors and semiconductors for its unique chemical and physicochemical properties.

What precautions should be taken when handling Lacto-N-hexaose (CAS: 64003-51-6)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling Lacto-N-hexaose. Store it in a cool, dry place away from direct sunlight. In case of a spill, use a fume hood and follow standard laboratory safety procedures. Refer to the Safety Data Sheet (SDS) for further detailed information on handling and storage.