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Home > Pyridines > 192575-19-2
192575-19-2 | tetrasodium;4-[2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,3-disulfonate
CAS No: 192575-19-2 Catalog No: AG01CC9J MDL No:
Product Description
Catalog Number:
AG01CC9J
Chemical Name:
tetrasodium;4-[2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,3-disulfonate
CAS Number:
192575-19-2
Molecular Formula:
C14H10N3Na4O12PS2
Molecular Weight:
599.3049
IUPAC Name:
tetrasodium;4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonate
InChI:
InChI=1S/C14H14N3O12PS2.4Na/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28;;;;/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28);;;;/q;4*+1/p-4
InChI Key:
KURWUCJJNVPCHT-UHFFFAOYSA-J
SMILES:
O=Cc1c(COP(=O)([O-])[O-])c(/N=N/c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])nc(c1O)C.[Na+].[Na+].[Na+].[Na+]
Properties
Complexity:
918
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.903g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
599.296g/mol
Monoisotopic Mass:
598.903g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
279A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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