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14152-97-7 | β-D-Glucopyranosyl isothiocyanate, 2,3,4,6-tetraacetate
CAS No: 14152-97-7 Catalog No: AG001GIZ MDL No:MFCD00043085
Product Description
Catalog Number:
AG001GIZ
Chemical Name:
β-D-Glucopyranosyl isothiocyanate, 2,3,4,6-tetraacetate
CAS Number:
14152-97-7
Molecular Formula:
C21H16O11
Molecular Weight:
444.3451
MDL Number:
MFCD00043085
IUPAC Name:
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate
InChI:
InChI=1S/C15H19NO9S/c1-7(17)21-5-11-12(22-8(2)18)13(23-9(3)19)14(24-10(4)20)15(25-11)16-6-26/h11-15H,5H2,1-4H3/t11-,12-,13+,14-,15-/m1/s1
InChI Key:
WOWNQYXIQWQJRJ-UXXRCYHCSA-N
SMILES:
O=C(CC1(OCOC1=O)CC(=O)Oc1ccccc1C(=O)O)Oc1ccccc1C(=O)O
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
389.078g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.375g/mol
Monoisotopic Mass:
389.078g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| A validated enantioselective LC-MS/MS assay for the simultaneous determination of carvedilol and its pharmacologically active 4'-hydroxyphenyl metabolite in human plasma: application to a clinical pharmacokinetic study. | Journal of pharmaceutical and biomedical analysis 20121101 |
| Enantioselective LC/ESI-MS/MS analysis and pharmacokinetic and tissue distribution study of (2RS)-1-(7-methoxy-1H-indol-4-yloxy)-3-(2-(2-methoxyphenoxy)ethylamino)-propan-2-ol in rats. | Chirality 20120801 |
| Determination of enantiomeric impurity in besifloxacin hydrochloride by chiral high-performance liquid chromatography with precolumn derivatization. | Chirality 20120701 |
| A universal HPLC-MS method to determine the stereochemistry of common and unusual amino acids. | Methods in molecular biology (Clifton, N.J.) 20120101 |
| Enantioselective quantification of carvedilol in human plasma by HPLC in heavily medicated heart failure patients. | Journal of pharmaceutical and biomedical analysis 20100801 |
| Stereoselective HPLC assay of TJ0711 enantiomers by precolumn derivatization with GITC using UV detection and its application in pharmacokinetics in rats. | Journal of Huazhong University of Science and Technology. Medical sciences = Hua zhong ke ji da xue xue bao. Yi xue Ying De wen ban = Huazhong keji daxue xuebao. Yixue Yingdewen ban 20090801 |
| Stereoselective analysis of tiopronin enantiomers in rat plasma using high-performance liquid chromatography-electrospray ionization mass spectrometry after chiral derivatization. | Chirality 20090501 |
| [Determination of optical purity of alpha-phenylethylamine by high performance liquid chromatography with pre-column derivatization]. | Se pu = Chinese journal of chromatography 20090501 |
| Does a stable isotopically labeled internal standard always correct analyte response? A matrix effect study on a LC/MS/MS method for the determination of carvedilol enantiomers in human plasma. | Journal of pharmaceutical and biomedical analysis 20070117 |
| High-performance liquid chromatographic resolution of 1-(1,4-benzodioxane-2-formyl)-piperazine enantiomers after chiral derivatization. | Journal of separation science 20050201 |
| Stereoselective analysis of carvedilol in human plasma using HPLC/MS/MS after chiral derivatization. | Journal of pharmaceutical and biomedical analysis 20041115 |
| Simultaneous determination of the enantiomers of esmolol and its acid metabolite in human plasma by reversed phase liquid chromatography with solid-phase extraction. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20040615 |
| Stereoselective RP-HPLC determination of esmolol enantiomers in human plasma after pre-column derivatization. | Journal of biochemical and biophysical methods 20040531 |
| Chirality determination of unusual amino acids using precolumn derivatization and liquid chromatography-electrospray ionization mass spectrometry. | Journal of chromatography. A 20040507 |
| Liquid chromatographic enantioseparation of spin-labelled beta-amino acids. | Journal of chromatography. A 20031222 |
| Synthesis and antiviral evaluation of some new glycosylthioureas containing a quinazolinone nucleus. | Nucleosides, nucleotides & nucleic acids 20020101 |
| Accumulation of L-cystathionine by an Escherichia coli mutant deficient in cystathionine beta-lyase. | Journal of bioscience and bioengineering 20020101 |
| Novel use of guanidinium isothiocyanate in the isolation of Mycobacterium tuberculosis DNA from clinical material. | FEMS microbiology letters 20011127 |
| High-performance liquid chromatographic enantioseparation of beta-amino acids. | Journal of chromatography. A 20010817 |
| Chiral separation of pheniramine-like 3-phenyl-3-heteroarylpropylamines by CE and HPLC methods. | Chirality 20010601 |
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