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148942-72-7 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 5-(bromomethyl)-3',6'-dihydroxy-
CAS No: 148942-72-7 Catalog No: AG001LAP MDL No:
Product Description
Catalog Number:
AG001LAP
Chemical Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 5-(bromomethyl)-3',6'-dihydroxy-
CAS Number:
148942-72-7
Molecular Formula:
C21H13BrO5
Molecular Weight:
425.2289
IUPAC Name:
6-(bromomethyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI:
InChI=1S/C21H13BrO5/c22-10-11-1-4-15-14(7-11)20(25)27-21(15)16-5-2-12(23)8-18(16)26-19-9-13(24)3-6-17(19)21/h1-9,23-24H,10H2
InChI Key:
OQHKPJAZGYJYTB-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.995g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
425.234g/mol
Monoisotopic Mass:
423.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Fluorescent labeling of membrane proteins on the surface of living cells by a self-catalytic glutathione S-transferase omega 1 tag. | Molecular bioSystems 20110401 |
| Structure-function relationships of the antigenicity of mycolic acids in tuberculosis patients. | Chemistry and physics of lipids 20101101 |
| Iron-sulfur cluster biosynthesis: characterization of IscU-IscS complex formation and a structural model for sulfide delivery to the [2Fe-2S] assembly site. | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20090801 |
| Quantification of carboxyl groups in carbodiimide cross-linked collagen sponges. | Journal of biomedical materials research. Part A 20071215 |
| Determination of jasmonic acid in bark extracts from Hevea brasiliensis by capillary electrophoresis with laser-induced fluorescence detection. | Analytical and bioanalytical chemistry 20050801 |
| High-throughput capillary electrophoretic method for determination of total aminothiols in plasma and urine. | Electrophoresis 20030401 |
| Measurement of thiol-containing amino acids and phytochelatin (PC2) via capillary electrophoresis with laser-induced fluorescence detection. | Electrophoresis 20020101 |
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