Basic information
- CAS
14116-68-8- Standard SMILES
CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
AXQLFFDZXPOFPO-FSGZUBPKSA-N- Molecular formula
- C26H45NO21
- Average molar mass
- 707.6 g/mol
- Monoisotopic mass
- 707.24840744
Overview
Beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc is a tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and glucose in a linear sequence, all joined by beta-linkages. It is a glucosamine oligosaccharide and an amino tetrasaccharide.
Names & identifiers
- Preferred name
- lacto-N-tetraose
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
- English name
- Lacto-N-tetraose
- Molecular formula
- C26H45NO21
- Molecular weight
- 707.63
Names & synonyms
Lacto-N-tetraoseCHEBI:30248beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-GlcDTXSID10331554N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamideN-((2S,3R,4R,5S,6R)-2-(((2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(((2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy)oxan-4-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxan-3-yl)acetamideRefChem:152066GlyTouCan:G45827GYDTXCID60282648G45827GY14116-68-846XNQ2LX59
Show more names
LCOSE4LNT-KLHLNT-GELfromhumanmilkLACTO-N-TETRAOSE-GELLNT (oligosaccharide)Lacto-N-tetraose (>90%)
Properties
Computed structural properties
- XLogP
- -7.9
- Topological polar surface area
- 357 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 11
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,030
Experimental & physicochemical properties
Collision Cross Section240.89 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
Physicochemical properties
- Melting point
- 205 · 205
- Boiling point
- 1173.6 · 1173.6±65.0 °C(Predicted)
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 12.39 · 12.39±0.20(Predicted)
- color
- White to Off-White
- optical activity
- 38 · +38 → +25.5
- Stability
- Hygroscopic
- InChIKey
- AXQLFFDZXPOFPO-CRWJELOYNA-N
- FDA UNII
- 46 XNQ2LX59 · 46XNQ2LX59
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationRegulation (EC) No 2015/2283 Article 10
Safety data
- F
- 10-21
- wgk
- 3
- hs_code
- 29400090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- B
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesLacto-N-tetraose (CAS# 14116-68-8) is a human milk oligosaccharide. It is minimally digested and absorbed in the small intestine however it cultivates bacteria in the colon.
Suppliers82 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海惠诚生物科技有限公司60498804 18930850192 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海凯森斯生物科技有限公司18616988519 · [email protected]
陕西晨明生物科技有限公司15529026321 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Related reactions
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Compound notes
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