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10139-04-5 | α-D-Glucopyranoside, phenyl 2-(acetylamino)-2-deoxy-
CAS No: 10139-04-5 Catalog No: AG0004DQ MDL No:MFCD00067651
Product Description
Catalog Number:
AG0004DQ
Chemical Name:
α-D-Glucopyranoside, phenyl 2-(acetylamino)-2-deoxy-
CAS Number:
10139-04-5
Molecular Formula:
C14H19NO6
Molecular Weight:
297.3038
MDL Number:
MFCD00067651
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
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
Literature
| Title | Journal |
|---|---|
| Further studies on the chemical basis for serological specificity of Group A streptococcal carbohydrate. | The Journal of experimental medicine 19580901 |
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