disodium;hydride;2-hydroxy-5-sulfobenzoic acid

C7H8Na2O6S — CID 173215805

IUPACdisodium;hydride;2-hydroxy-5-sulfobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)O)ccc1O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C7H6O6S.2Na.2H/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;;;/h1-3,8H,(H,9,10)(H,11,12,13);;;;/q;2*+1;2*-1
InChIKeyDKRWRHIVHWLITP-UHFFFAOYSA-N
MW266.18 g/mol
LogP-5.43
Rot. Bonds2

About disodium;hydride;2-hydroxy-5-sulfobenzoic acid

disodium;hydride;2-hydroxy-5-sulfobenzoic acid (PubChem CID 173215805) has the molecular formula C7H8Na2O6S and a molecular weight of 266.18 g/mol. Its IUPAC name is disodium;hydride;2-hydroxy-5-sulfobenzoic acid.

Molecular Properties

Compound Namedisodium;hydride;2-hydroxy-5-sulfobenzoic acid
PubChem CID173215805
Molecular FormulaC7H8Na2O6S
Molecular Weight266.18 g/mol
Exact Mass265.98
IUPAC Namedisodium;hydride;2-hydroxy-5-sulfobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)O)ccc1O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C7H6O6S.2Na.2H/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;;;/h1-3,8H,(H,9,10)(H,11,12,13);;;;/q;2*+1;2*-1
InChIKeyDKRWRHIVHWLITP-UHFFFAOYSA-N
XLogP-5.43
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 5-5.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;2-hydroxy-5-sulfobenzoic acid;hydrochloride
CID 175438165
ethane;2-hydroxy-5-sulfobenzoic acid
CID 143907682
ethane-1,2-diol;2-hydroxy-5-sulfobenzoic acid;dihydrate
CID 175240045
CID 173341839
CID 173341839
acetic acid;2-hydroxy-5-sulfobenzoic acid;propanoic acid
CID 161008670
guanidine;2-hydroxy-5-sulfobenzoic acid;propan-2-ol
CID 157150038
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
2-(2-carboxy-4-sulfophenyl)-5-sulfobenzoic acid
CID 178078504
4-sulfophthalic acid;trihydrochloride
CID 173375578
sodium 2-carboxy-5-sulfobenzoate
CID 23686671
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
3-carboxy-4-hydroxybenzenesulfonate;carboxymethylazanium
CID 139086437

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;2-hydroxy-5-sulfobenzoic acid?
The IUPAC name of disodium;hydride;2-hydroxy-5-sulfobenzoic acid (CID 173215805) is disodium;hydride;2-hydroxy-5-sulfobenzoic acid.
What is the SMILES notation for disodium;hydride;2-hydroxy-5-sulfobenzoic acid?
The canonical SMILES for disodium;hydride;2-hydroxy-5-sulfobenzoic acid is O=C(O)c1cc(S(=O)(=O)O)ccc1O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;2-hydroxy-5-sulfobenzoic acid?
The InChIKey is DKRWRHIVHWLITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O6S.2Na.2H/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;;;/h1-3,8H,(H,9,10)(H,11,12,13);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;2-hydroxy-5-sulfobenzoic acid?
disodium;hydride;2-hydroxy-5-sulfobenzoic acid has a molecular weight of 266.18 g/mol, XLogP of -5.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;2-hydroxy-5-sulfobenzoic acid is sourced from PubChem (CID 173215805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).