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3'-Sialyllactose Sodium Salt

CAT: 0572-TRC-S397400-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S397400-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
128596-80-5
Synonyms
O-(N-Acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose Sodium Salt
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[Na+].CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)OC(O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)[O-]
Molecular Formula
C23 H38 N O19 . Na
Molecular Weight
655.53
InChI
InChI=1S/C23H39NO19.Na/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33;/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38);/q;+1/p-1/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20?,21?,23-;/m0./s1
Additionnal Information
IUPAC name: sodium;(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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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