sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid

C4H6NNaO6S — CID 173022591

IUPACsodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid
SMILESO=C1CC(O)(S(=O)(=O)O)C(=O)N1.[H-].[Na+]
InChIInChI=1S/C4H5NO6S.Na.H/c6-2-1-4(8,3(7)5-2)12(9,10)11;;/h8H,1H2,(H,5,6,7)(H,9,10,11);;/q;+1;-1
InChIKeyYYNALBFTWQUUHX-UHFFFAOYSA-N
MW219.15 g/mol
LogP-5.27
Rot. Bonds1

About sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid

sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid (PubChem CID 173022591) has the molecular formula C4H6NNaO6S and a molecular weight of 219.15 g/mol. Its IUPAC name is sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid
PubChem CID173022591
Molecular FormulaC4H6NNaO6S
Molecular Weight219.15 g/mol
Exact Mass218.98
IUPAC Namesodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid
SMILESO=C1CC(O)(S(=O)(=O)O)C(=O)N1.[H-].[Na+]
InChIInChI=1S/C4H5NO6S.Na.H/c6-2-1-4(8,3(7)5-2)12(9,10)11;;/h8H,1H2,(H,5,6,7)(H,9,10,11);;/q;+1;-1
InChIKeyYYNALBFTWQUUHX-UHFFFAOYSA-N
XLogP-5.27
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 5-5.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid?
The IUPAC name of sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid (CID 173022591) is sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid.
What is the SMILES notation for sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid?
The canonical SMILES for sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid is O=C1CC(O)(S(=O)(=O)O)C(=O)N1.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid?
The InChIKey is YYNALBFTWQUUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO6S.Na.H/c6-2-1-4(8,3(7)5-2)12(9,10)11;;/h8H,1H2,(H,5,6,7)(H,9,10,11);;/q;+1;-1.
What are the key properties of sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid?
sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid has a molecular weight of 219.15 g/mol, XLogP of -5.27, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid is sourced from PubChem (CID 173022591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).