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3'-Sialyllactose (sodium) (Standard)

CAT: 0804-HY-108065ARSize: 1 EachDry Ice: NoHazardous: No
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Description
3'-Sialyllactose (sodium) (Standard) is the analytical standard of 3'-Sialyllactose (sodium) . This product is intended for research and analytical applications. 3'-Sialyllactose (3'-SL) sodium is a prebiotic, maintains immune homeostasis and exerts anti-inflammatory and anti-arthritic effects. 3'-Sialyllactose sodium is an ordinary carbohydrate with the lowest toxicity rating, it can be used for the research of inflammation[1][2][3].
CAS Number
128596-80-5
UNSPSC
12352100
Target
NF-κB; Reference Standards
Related Pathways
NF-κB; Others
Field of Research
Inflammation/Immunology
Smiles
O=C(O[Na])[C@@]1(O[C@@]([C@H](NC(C)=O)[C@@H](O)C1)([H])[C@H](O)[C@H](O)CO)O[C@@H]2[C@H]([C@@H](O[C@H](CO)[C@@H]2O)O[C@@]([C@H](O)CO)([H])[C@H](O)[C@@H](O)C=O)O
Molecular Formula
C23H38NNaO19
Molecular Weight
655.53
References & Citations
[1]Jeon J, et al. 3'-Sialyllactose protects against osteoarthritic development by facilitating cartilage homeostasis. J Cell Mol Med. 2018 Jan;22 (1) :57-66.|[2]Kang LJ, et al. 3'-Sialyllactose prebiotics prevents skin inflammation via regulatory T cell differentiation in atopic dermatitis mouse models. Sci Rep. 2020 Mar 27;10 (1) :5603.|[3]Kim D, et al. Toxicological evaluation of 3'-sialyllactose sodium salt. Regul Toxicol Pharmacol. 2018 Apr;94:83-90.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

o-(n-acetyl-alpha-neuraminosyl)-(2->3)-o-beta-d-galactopyranosyl-(1->4)-d-glucose, monosodium salt
CAS Number128596-80-5
PubChem CID71308479
IUPAC Namesodium (2S,4S,5R,6R)-5-acetamido-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-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Molecular FormulaC23H38NNaO19
Molecular Weight655.5
Topological Polar Surface Area346
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count15
Heavy Atom Count44
Formal Charge0
Complexity934
SMILES
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O.[Na+]
InChI
InChI=1S/C23H39NO19.Na/c1-7(29)24-13-8(30)2-23(22(38)39,42-19(13)15(35)10(32)4-26)43-20-16(36)12(6-28)40-21(17(20)37)41-18(11(33)5-27)14(34)9(31)3-25;/h3,8-21,26-28,30-37H,2,4-6H2,1H3,(H,24,29)(H,38,39);/q;+1/p-1/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20-,21-,23-;/m0./s1
InChIKey
LTWFUJWFLMHANB-TZCPRLTCSA-M
Chemical Structure
2D Structure
2D structure of o-(n-acetyl-alpha-neuraminosyl)-(2->3)-o-beta-d-galactopyranosyl-(1->4)-d-glucose, monosodium salt
CAS: 128596-80-5
CID: 71308479
Formula: C23H38NNaO19
MW: 655.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight655.5
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count15
Exact Mass655.19357226
Monoisotopic Mass655.19357226
Topological Polar Surface Area346 Ų
Heavy Atom Count44
Formal Charge0
Complexity934
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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