4-hydroxynaphthalene-2,7-disulfonate

C10H6O7S2-2 — CID 3010341

IUPAC4-hydroxynaphthalene-2,7-disulfonate
SMILESO=S(=O)([O-])c1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1
InChIInChI=1S/C10H8O7S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5,11H,(H,12,13,14)(H,15,16,17)/p-2
InChIKeyTZBROGJRQUABOK-UHFFFAOYSA-L
MW302.28 g/mol
LogP0.35
Rot. Bonds2

About 4-hydroxynaphthalene-2,7-disulfonate

4-hydroxynaphthalene-2,7-disulfonate (PubChem CID 3010341) has the molecular formula C10H6O7S2-2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 4-hydroxynaphthalene-2,7-disulfonate.

Molecular Properties

Compound Name4-hydroxynaphthalene-2,7-disulfonate
PubChem CID3010341
Molecular FormulaC10H6O7S2-2
Molecular Weight302.28 g/mol
Exact Mass301.96
IUPAC Name4-hydroxynaphthalene-2,7-disulfonate
SMILESO=S(=O)([O-])c1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1
InChIInChI=1S/C10H8O7S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5,11H,(H,12,13,14)(H,15,16,17)/p-2
InChIKeyTZBROGJRQUABOK-UHFFFAOYSA-L
XLogP0.35
TPSA134.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxynaphthalene-2,7-disulfonate?
The IUPAC name of 4-hydroxynaphthalene-2,7-disulfonate (CID 3010341) is 4-hydroxynaphthalene-2,7-disulfonate.
What is the SMILES notation for 4-hydroxynaphthalene-2,7-disulfonate?
The canonical SMILES for 4-hydroxynaphthalene-2,7-disulfonate is O=S(=O)([O-])c1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1.
What is the InChIKey of 4-hydroxynaphthalene-2,7-disulfonate?
The InChIKey is TZBROGJRQUABOK-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8O7S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5,11H,(H,12,13,14)(H,15,16,17)/p-2.
What are the key properties of 4-hydroxynaphthalene-2,7-disulfonate?
4-hydroxynaphthalene-2,7-disulfonate has a molecular weight of 302.28 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxynaphthalene-2,7-disulfonate is sourced from PubChem (CID 3010341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).