Lacto-N-neotetraose

Basic Information

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CAS Number

13007-32-4

Molecular Formula

C26H45NO21

Molecular Weight

707.63 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

Boiling Point

1173.6±65.0 °C(Predicted)

Density

1.72±0.1 g/cm3(Predicted)

SMILES

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OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)O

InChI

InChI=1S/C26H45NO21/c1-7(33)27-13-17(39)22(47-25-19(41)18(40)15(37)10(4-30)43-25)12(6-32)45-24(13)48-23-16(38)11(5-31)44-26(20(23)42)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-/m0/s1

InChIKey

RBMYDHMFFAVMMM-PLQWBNBWSA-N

LogP

-9.762400000000016

pKa

12.39±0.20(Predicted)

Topological Polar Surface Area

364.54 Å²

Hydrogen Bond Donor/Acceptor

14 / 22

Safety Information

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Stability

吸湿性

Synonyms & References

English

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Neolactotetraose
LNnT, β-D-Gal-(1-4)-β-D-GlcNAc-(1-3)-β-D-Gal-(1-4)-D-Glc
Lacto-N-neotetraose ,>=95%
β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-Glc
NLCOSE
NLCOSE4
lacto-N-neo-tetraose from human milk
LACTO-N-NEOTETRAOSE
Lacto-N-neo-tetraose
Lacto-N-neotetraose (LNnT)
LNnT
3)-O-b-D-galactopyranosyl-(1&reg
4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1&reg
beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc
neo-LNT
GAL-BETA1,4GLCNA-CBETA1, 3GAL-BETA1, 4GLC
Lacto-N-neotetraose

MDL Number

MFCD00467190

Customs Code

29400090

FAQ

What are the physical and chemical properties of Lacto-N-neotetraose (CAS: 13007-32-4)?

Lacto-N-neotetraose is a monosaccharide with the molecular formula C12H22O11. It crystallizes in the form of white, odorless needles. The compound has a high molecular weight of approximately 342.29 g/mol. It is poorly soluble in water but dissolves readily in hot water. Lacto-N-neotetraose is reactive and can undergo various chemical transformations, including reduction and esterification.

How is Lacto-N-neotetraose (CAS: 13007-32-4) typically synthesized?

Lacto-N-neotetraose can be synthesized via enzymatic methods using lactose as a starting material. Specific enzymes like β-galactosidase and β-galactosidase from Bacteroides thetaiotaomicron are commonly used. The synthesis process yields Lacto-N-neotetraose with good selectivity and high yield, typically over 90%.

What industries use Lacto-N-neotetraose (CAS: 13007-32-4)?

Lacto-N-neotetraose is primarily used in the pharmaceutical industry for its prebiotic properties, enhancing the growth of beneficial bacteria in the gut. It is also utilized in the food industry as a natural sweetener and in the production of infant formula. Additionally, it has applications in the cosmetic industry for its potential in skin care products.

What precautions should be taken when handling Lacto-N-neotetraose (CAS: 13007-32-4)?

When handling Lacto-N-neotetraose, it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of any airborne particles. Spills should be cleaned up using appropriate absorbent materials, and the area should be decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.