sodium;hydride;naphthalene-1,7-disulfonic acid

C10H9NaO6S2 — CID 173344395

IUPACsodium;hydride;naphthalene-1,7-disulfonic acid
SMILESO=S(=O)(O)c1ccc2cccc(S(=O)(=O)O)c2c1.[H-].[Na+]
InChIInChI=1S/C10H8O6S2.Na.H/c11-17(12,13)8-5-4-7-2-1-3-10(9(7)6-8)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;+1;-1
InChIKeyPMWGEHTVRUBFKE-UHFFFAOYSA-N
MW312.30 g/mol
LogP-1.55
Rot. Bonds2

About sodium;hydride;naphthalene-1,7-disulfonic acid

sodium;hydride;naphthalene-1,7-disulfonic acid (PubChem CID 173344395) has the molecular formula C10H9NaO6S2 and a molecular weight of 312.30 g/mol. Its IUPAC name is sodium;hydride;naphthalene-1,7-disulfonic acid.

Molecular Properties

Compound Namesodium;hydride;naphthalene-1,7-disulfonic acid
PubChem CID173344395
Molecular FormulaC10H9NaO6S2
Molecular Weight312.30 g/mol
Exact Mass311.97
IUPAC Namesodium;hydride;naphthalene-1,7-disulfonic acid
SMILESO=S(=O)(O)c1ccc2cccc(S(=O)(=O)O)c2c1.[H-].[Na+]
InChIInChI=1S/C10H8O6S2.Na.H/c11-17(12,13)8-5-4-7-2-1-3-10(9(7)6-8)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;+1;-1
InChIKeyPMWGEHTVRUBFKE-UHFFFAOYSA-N
XLogP-1.55
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
CID 126960168
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
8-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
CID 22833442
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
naphthalene-1-sulfonic acid
CID 158712346
CID 159682573
CID 159682573
CID 87599032
CID 87599032
anthracene-1-sulfonic acid;hydrofluoride
CID 174515955
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
magnesium;hydride;phenanthrene-1-sulfonic acid
CID 174836310
5-hydroxynaphthalene-1,7-disulfonic acid
CID 21259642

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;naphthalene-1,7-disulfonic acid?
The IUPAC name of sodium;hydride;naphthalene-1,7-disulfonic acid (CID 173344395) is sodium;hydride;naphthalene-1,7-disulfonic acid.
What is the SMILES notation for sodium;hydride;naphthalene-1,7-disulfonic acid?
The canonical SMILES for sodium;hydride;naphthalene-1,7-disulfonic acid is O=S(=O)(O)c1ccc2cccc(S(=O)(=O)O)c2c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;naphthalene-1,7-disulfonic acid?
The InChIKey is PMWGEHTVRUBFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6S2.Na.H/c11-17(12,13)8-5-4-7-2-1-3-10(9(7)6-8)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;+1;-1.
What are the key properties of sodium;hydride;naphthalene-1,7-disulfonic acid?
sodium;hydride;naphthalene-1,7-disulfonic acid has a molecular weight of 312.30 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;naphthalene-1,7-disulfonic acid is sourced from PubChem (CID 173344395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).