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137760-83-9

137760-83-9 | α-Neuraminic acid, N-acetyl-8-O-(N-acetyl-α-neuraminosyl)-

CAS No: 137760-83-9 Catalog No: AG0013TJ MDL No:

Product Description

Catalog Number:
AG0013TJ
Chemical Name:
α-Neuraminic acid, N-acetyl-8-O-(N-acetyl-α-neuraminosyl)-
CAS Number:
137760-83-9
Molecular Formula:
C22H36N2O17
Molecular Weight:
600.5244
IUPAC Name:
(2R,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C22H36N2O17/c1-7(27)23-13-9(29)3-21(38,19(34)35)40-18(13)16(33)12(6-26)39-22(20(36)37)4-10(30)14(24-8(2)28)17(41-22)15(32)11(31)5-25/h9-18,25-26,29-33,38H,3-6H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)(H,36,37)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,21+,22+/m0/s1
InChI Key:
LWXBZLHHWJUOSV-VCVJBUKQSA-N
SMILES:
OC[C@H]([C@H]([C@@H]1O[C@](O)(C[C@@H]([C@H]1NC(=O)C)O)C(=O)O)O)O[C@@]1(C[C@H](O)[C@H]([C@@H](O1)[C@H]([C@@H](CO)O)O)NC(=O)C)C(=O)O

Properties

Complexity:
968  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
12  
Defined Bond Stereocenter Count:
0
Exact Mass:
600.201g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
600.527g/mol
Monoisotopic Mass:
600.201g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
322A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.9  

Literature

Title Journal
Binding of influenza viruses to sialic acids: reassortant viruses with A/NWS/33 hemagglutinin bind to alpha2,8-linked sialic acid. Virology 20040801
Synthetic disialylgalactose immunoadsorbents deplete anti-GQ1b antibodies from autoimmune neuropathy sera. Brain : a journal of neurology 20040301

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