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Disialyllacto-N-tetraose

CAT: 0013-GTR19218457-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218457-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Disialyllacto-N-tetraose (DSLNT), a human milk oligosaccharide, prevents necrotizing enterocolitis in neonatal rats. It is utilized in research on infant gut health, including microbiota modulation and intestinal inflammation, with studies employing in vivo models and in vitro assays.
CAS Number
61278-38-4
Smiles
O ([C@@]1 (C (O) =O) O[C@@] ([C@@H] ([C@@H] (CO) O) O) ([C@H] (NC (C) =O) [C@@H] (O) C1) [H]) [C@@H]2[C@@H] (O) [C@H] (O[C@@H]3[C@@H] (NC (C) =O) [C@H] (O[C@@H]4[C@@H] (O) [C@H] (O[C@@H] ([C@@H] ([C@H] (C=O) O) O) [C@@H] (CO) O) O[C@H] (CO) [C@@H]4O) O[C@H] (CO[C@@]5 (C (O) =O) O[C@@] ([C@@H] ([C@@H] (CO) O) O) ([C@H] (NC (C) =O) [C@@H] (O) C5) [H]) [C@H]3O) O[C@H] (CO) [C@@H]2O
Molecular Formula
C48H79N3O37
Molecular Weight
1290.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

disialyllacto-N-tetraose

prevents necrotising enterocolitis

CAS Number61278-38-4
PubChem CID102408290
IUPAC Name(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Molecular FormulaC48H79N3O37
Molecular Weight1290.1
XLogP-13.7
Topological Polar Surface Area656
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count37
Rotatable Bond Count29
Heavy Atom Count88
Formal Charge0
Complexity2300
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)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)NC(=O)C)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O
InChI
InChI=1S/C48H79N3O37/c1-13(58)49-25-16(61)4-47(45(75)76,86-38(25)29(68)19(64)7-53)79-12-24-33(72)37(27(51-15(3)60)42(82-24)85-40-31(70)22(10-56)80-43(34(40)73)83-36(21(66)9-55)28(67)18(63)6-52)84-44-35(74)41(32(71)23(11-57)81-44)88-48(46(77)78)5-17(62)26(50-14(2)59)39(87-48)30(69)20(65)8-54/h6,16-44,53-57,61-74H,4-5,7-12H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)(H,75,76)(H,77,78)/t16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,41-,42-,43-,44-,47+,48-/m0/s1
InChIKey
BTDPEAPRLHRFIA-VYZFFVDYSA-N
Chemical Structure
2D Structure
2D structure of disialyllacto-N-tetraose
CAS: 61278-38-4
CID: 102408290
Formula: C48H79N3O37
MW: 1290.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1290.1
XLogP3-13.7
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count37
Rotatable Bond Count29
Exact Mass1289.4392404
Monoisotopic Mass1289.4392404
Topological Polar Surface Area656 Ų
Heavy Atom Count88
Formal Charge0
Complexity2300
Isotope Atom Count0
Defined Atom Stereocenter Count31
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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