strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate

C20H12N2O7S2Sr — CID 135565130

IUPACstrontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2c(/N=N/c3ccc4ccccc4c3S(=O)(=O)[O-])c(O)ccc2c1.[Sr+2]
InChIInChI=1S/C20H14N2O7S2.Sr/c23-18-10-6-13-11-14(30(24,25)26)7-8-15(13)19(18)22-21-17-9-5-12-3-1-2-4-16(12)20(17)31(27,28)29;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b22-21+;
InChIKeyJNGLENGZPHCLIC-QUABFQRHSA-L
MW544.08 g/mol
LogP3.54
Rot. Bonds4

About strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate

strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate (PubChem CID 135565130) has the molecular formula C20H12N2O7S2Sr and a molecular weight of 544.08 g/mol. Its IUPAC name is strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate.

Molecular Properties

Compound Namestrontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
PubChem CID135565130
Molecular FormulaC20H12N2O7S2Sr
Molecular Weight544.08 g/mol
Exact Mass543.91
IUPAC Namestrontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2c(/N=N/c3ccc4ccccc4c3S(=O)(=O)[O-])c(O)ccc2c1.[Sr+2]
InChIInChI=1S/C20H14N2O7S2.Sr/c23-18-10-6-13-11-14(30(24,25)26)7-8-15(13)19(18)22-21-17-9-5-12-3-1-2-4-16(12)20(17)31(27,28)29;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b22-21+;
InChIKeyJNGLENGZPHCLIC-QUABFQRHSA-L
XLogP3.54
TPSA159.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.08
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate?
The IUPAC name of strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate (CID 135565130) is strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate.
What is the SMILES notation for strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate?
The canonical SMILES for strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate is O=S(=O)([O-])c1ccc2c(/N=N/c3ccc4ccccc4c3S(=O)(=O)[O-])c(O)ccc2c1.[Sr+2].
What is the InChIKey of strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate?
The InChIKey is JNGLENGZPHCLIC-QUABFQRHSA-L. The full InChI is InChI=1S/C20H14N2O7S2.Sr/c23-18-10-6-13-11-14(30(24,25)26)7-8-15(13)19(18)22-21-17-9-5-12-3-1-2-4-16(12)20(17)31(27,28)29;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b22-21+;.
What are the key properties of strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate?
strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate has a molecular weight of 544.08 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for strontium 6-hydroxy-5-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate is sourced from PubChem (CID 135565130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).