disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride

C12H10Na2O10S2 — CID 173376670

IUPACdisodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride
SMILESO=C(O)c1ccc2c(S(=O)(=O)O)c(C(=O)O)ccc2c1S(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C12H8O10S2.2Na.2H/c13-11(14)7-3-1-5-6(10(7)24(20,21)22)2-4-8(12(15)16)9(5)23(17,18)19;;;;/h1-4H,(H,13,14)(H,15,16)(H,17,18,19)(H,20,21,22);;;;/q;2*+1;2*-1
InChIKeyDVDNHTCVZLQCSF-UHFFFAOYSA-N
MW424.32 g/mol
LogP-5.04
Rot. Bonds4

About disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride

disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride (PubChem CID 173376670) has the molecular formula C12H10Na2O10S2 and a molecular weight of 424.32 g/mol. Its IUPAC name is disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride.

Molecular Properties

Compound Namedisodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride
PubChem CID173376670
Molecular FormulaC12H10Na2O10S2
Molecular Weight424.32 g/mol
Exact Mass423.95
IUPAC Namedisodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride
SMILESO=C(O)c1ccc2c(S(=O)(=O)O)c(C(=O)O)ccc2c1S(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C12H8O10S2.2Na.2H/c13-11(14)7-3-1-5-6(10(7)24(20,21)22)2-4-8(12(15)16)9(5)23(17,18)19;;;;/h1-4H,(H,13,14)(H,15,16)(H,17,18,19)(H,20,21,22);;;;/q;2*+1;2*-1
InChIKeyDVDNHTCVZLQCSF-UHFFFAOYSA-N
XLogP-5.04
TPSA183.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.32
LogP ≤ 5-5.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride?
The IUPAC name of disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride (CID 173376670) is disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride.
What is the SMILES notation for disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride?
The canonical SMILES for disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride is O=C(O)c1ccc2c(S(=O)(=O)O)c(C(=O)O)ccc2c1S(=O)(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride?
The InChIKey is DVDNHTCVZLQCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O10S2.2Na.2H/c13-11(14)7-3-1-5-6(10(7)24(20,21)22)2-4-8(12(15)16)9(5)23(17,18)19;;;;/h1-4H,(H,13,14)(H,15,16)(H,17,18,19)(H,20,21,22);;;;/q;2*+1;2*-1.
What are the key properties of disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride?
disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride has a molecular weight of 424.32 g/mol, XLogP of -5.04, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1,5-disulfonaphthalene-2,6-dicarboxylic acid;hydride is sourced from PubChem (CID 173376670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).