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20581-45-7 | α-D-Glucopyranoside, 4-isothiocyanatophenyl
CAS No: 20581-45-7 Catalog No: AG002ADB MDL No:
Product Description
Catalog Number:
AG002ADB
Chemical Name:
α-D-Glucopyranoside, 4-isothiocyanatophenyl
CAS Number:
20581-45-7
Molecular Formula:
C13H15NO6S
Molecular Weight:
313.3263
IUPAC Name:
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxane-3,4,5-triol
InChI:
InChI=1S/C13H15NO6S/c15-5-9-10(16)11(17)12(18)13(20-9)19-8-3-1-7(2-4-8)14-6-21/h1-4,9-13,15-18H,5H2/t9-,10-,11+,12-,13+/m1/s1
InChI Key:
RWANFUZQWINQBY-LBELIVKGSA-N
SMILES:
OC[C@H]1O[C@H](Oc2ccc(cc2)N=C=S)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
313.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
313.324g/mol
Monoisotopic Mass:
313.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Chemoenzymatic synthesis of neoglycoproteins using transglycosylation with endo-beta-N-acetylglucosaminidase A. | Biochemical and biophysical research communications 20010406 |
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