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

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

600.201g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

600.527g/mol

Monoisotopic Mass:

600.201g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

322A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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