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73676-43-4 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy-2',4',5',7'-tetraiodo-6-isothiocyanato-, sodium salt (1:2)
CAS No: 73676-43-4 Catalog No: AG005LTN MDL No:
Product Description
Catalog Number:
AG005LTN
Chemical Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy-2',4',5',7'-tetraiodo-6-isothiocyanato-, sodium salt (1:2)
CAS Number:
73676-43-4
Molecular Formula:
C21H5I4NNa2O5S
Molecular Weight:
936.9305
IUPAC Name:
disodium;2',4',5',7'-tetraiodo-6-isothiocyanato-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
InChI:
InChI=1S/C21H7I4NO5S.2Na/c22-12-4-10-18(14(24)16(12)27)30-19-11(5-13(23)17(28)15(19)25)21(10)9-3-7(26-6-32)1-2-8(9)20(29)31-21;;/h1-5,27-28H;;/q;2*+1/p-2
InChI Key:
KPBGWWXVWRSIAY-UHFFFAOYSA-L
SMILES:
S=C=Nc1ccc2c(c1)C1(OC2=O)c2cc(I)c(c(c2Oc2c1cc(I)c(c2I)[O-])I)[O-].[Na+].[Na+]
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
936.586g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
936.93g/mol
Monoisotopic Mass:
936.586g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Differential inactivation of Na,K-ATPase by erythrosin isothiocyanate. | Annals of the New York Academy of Sciences 20030401 |
| Frequency-domain lifetime fluorometry of double-labeled creatine kinase. | Physiological research 20030101 |
| Erythrosin 5'-isothiocyanate labels Cys549 as part of the low-affinity ATP binding site of Na+/K+-ATPase. | FEBS letters 19981211 |
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