CAS 16655-75-7 | Neuraminic acid, N-acetyl-, 4-acetate | CAS Number 16655-75-7

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16655-75-7 | Neuraminic acid, N-acetyl-, 4-acetate

CAS No: 16655-75-7 Catalog No: AG001WTX MDL No:

Product Description

Catalog Number:

AG001WTX

Chemical Name:

Neuraminic acid, N-acetyl-, 4-acetate

CAS Number:

16655-75-7

Molecular Formula:

C13H21NO10

Molecular Weight:

351.3065

IUPAC Name:

(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

InChI:

InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13+/m1/s1

InChI Key:

LVBIMVQYUKOENY-XAGGSGLKSA-N

SMILES:

OC[C@H]([C@H]([C@@H]1OC(O)(C[C@@H]([C@H]1NC(=O)C)OC(=O)C)C(=O)O)O)O

Properties

Complexity:

497

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

351.117g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

351.308g/mol

Monoisotopic Mass:

351.117g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

183A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.9

Literature

Title	Journal
Unique disialosyl gangliosides from salmon kidney: characterization of V3alphaFuc, IV3betaGalNAc, II3(alphaNeuAc)2-Gg4Cer and its analogue with 4-O-acetyl-N-acetylneuraminic acid.	Glycoconjugate journal 20061101
Localisation and distribution of O-acetylated N-acetylneuraminic acids, the endogenous substrates of the hemagglutinin-esterases of murine coronaviruses, in mouse tissue.	Glycoconjugate journal 20060201
The sialate-4-O-acetylesterases of coronaviruses related to mouse hepatitis virus: a proposal to reorganize group 2 Coronaviridae.	The Journal of general virology 20020201