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10139-04-5,MFCD00051205
Catalog No.:AA0004AY
10139-04-5 | Phenyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
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Technical Information
Catalog Number:
AA0004AY
Chemical Name:
Phenyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
CAS Number:
10139-04-5
Molecular Formula:
C14H19NO6
Molecular Weight:
297.3038
MDL Number:
MFCD00051205
IUPAC Name:
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
InChI:
InChI=1S/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)/t10-,11-,12-,13-,14+/m1/s1
InChI Key:
ZUJDLWWYFIZERS-KSTCHIGDSA-N
SMILES:
OC[C@H]1O[C@H](Oc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
EC Number:
233-393-4
Properties
Computed Properties
 
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
297.121g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
297.307g/mol
Monoisotopic Mass:
297.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

Synonyms
 
Phenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside 
Phenyl N-Acetyl-alpha-D-glucosaminide 
N-((2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-phenoxytetrahydro-2H-pyran-3-yl)acetamide 
TR-000373 
FT-0774473 
P0130 
alpha-D-Glucopyranoside, phenyl 2-(acetylamino)-2-deoxy- 
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide 
C14H19NO6 
phenyl N-acetyl-A-D-glucosaminide 
CID82399 
Phenyl alpha-N-acetylgalactosaminide 
phenyl alpha-N-acetyl-D-glucosaminide 
C14-H19-N-O6 
10139-04-5 
CHEBI:61628 
phenyl 2-acetamido-2-deoxy-alpha-D-glucoside 
EINECS 233-393-4 
Epitope ID:141118 
AC1L33BY 
SCHEMBL432365 
Literature

Title: Further studies on the chemical basis for serological specificity of Group A streptococcal carbohydrate.

Journal: The Journal of experimental medicine 19580901

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