disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid

C10H10Na2O7S2 — CID 174552930

IUPACdisodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(O)cc2c1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H8O7S2.2Na.2H/c11-9-4-7-3-8(18(12,13)14)2-1-6(7)5-10(9)19(15,16)17;;;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;;;/q;2*+1;2*-1
InChIKeyJQASHOWZFZKVOM-UHFFFAOYSA-N
MW352.30 g/mol
LogP-4.73
Rot. Bonds2

About disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid

disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid (PubChem CID 174552930) has the molecular formula C10H10Na2O7S2 and a molecular weight of 352.30 g/mol. Its IUPAC name is disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid.

Molecular Properties

Compound Namedisodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid
PubChem CID174552930
Molecular FormulaC10H10Na2O7S2
Molecular Weight352.30 g/mol
Exact Mass351.97
IUPAC Namedisodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(O)cc2c1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H8O7S2.2Na.2H/c11-9-4-7-3-8(18(12,13)14)2-1-6(7)5-10(9)19(15,16)17;;;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;;;/q;2*+1;2*-1
InChIKeyJQASHOWZFZKVOM-UHFFFAOYSA-N
XLogP-4.73
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 5-4.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-2,3,6-trisulfonic acid
CID 42609669
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
3-hydroxynaphthalene-2,7-disulfonamide
CID 70464253
tetracene-2-sulfonic acid
CID 21483873
potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride
CID 173070046
sodium;hydride;6-methylnaphthalene-2-sulfonic acid
CID 173399427
7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid
CID 88702310
sodium;hydride;naphthalene-1,7-disulfonic acid
CID 173344395
6-methyl-7-(trihydroxy-λ4-sulfanyl)naphthalene-2-sulfonic acid
CID 21363114
CID 173398336
CID 173398336

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid?
The IUPAC name of disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid (CID 174552930) is disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid.
What is the SMILES notation for disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid?
The canonical SMILES for disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid is O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(O)cc2c1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid?
The InChIKey is JQASHOWZFZKVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O7S2.2Na.2H/c11-9-4-7-3-8(18(12,13)14)2-1-6(7)5-10(9)19(15,16)17;;;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid?
disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid has a molecular weight of 352.30 g/mol, XLogP of -4.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid is sourced from PubChem (CID 174552930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).