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CAS Number: 20581-41-3
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-3,4,5-triol

Structure

 (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-3,4,5-triol
Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-3,4,5-triol
Synonyms:
General Information
Product Number: 20581413

CAS Registry Number 20581-41-3
Name:
β-?D-?Glucopyranoside, 4-?isothiocyanatophenyl
Isothiocyanic acid, p-(β-D-glucopyranosyloxy)phenyl ester (8CI)
p-Isothiocyanatophenyl β-D-glucopyranoside

 

Chemical Formula: C13H15NO6S
Exact Mass: 313.06
Molecular Weight: 313.33
m/z: 313.06 (100.0%), 314.07 (14.5%), 315.06 (4.7%), 315.07 (2.2%), 314.06 (1.2%)

 

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-UJPOAAIJSA-N

Canonical SMILES:C1=CC(=CC=C1N=C=S)OC2C(C(C(C(O2)CO)O)O)O

Specification

98%
References

PCT Int. Appl. (1999), WO 9901160 A1 19990114.

Biochemical and Biophysical Research Communications (2001), 282(3), 678-682.
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