sodium;butanedioic acid;hydride;hydrogen sulfite

C4H8NaO7S- — CID 174306184

IUPACsodium;butanedioic acid;hydride;hydrogen sulfite
SMILESO=C(O)CCC(=O)O.O=S([O-])O.[H-].[Na+]
InChIInChI=1S/C4H6O4.Na.H2O3S.H/c5-3(6)1-2-4(7)8;;1-4(2)3;/h1-2H2,(H,5,6)(H,7,8);;(H2,1,2,3);/q;+1;;-1/p-1
InChIKeyFRZBTJWWMHMNLK-UHFFFAOYSA-M
MW223.16 g/mol
LogP-3.61
Rot. Bonds3

About sodium;butanedioic acid;hydride;hydrogen sulfite

sodium;butanedioic acid;hydride;hydrogen sulfite (PubChem CID 174306184) has the molecular formula C4H8NaO7S- and a molecular weight of 223.16 g/mol. Its IUPAC name is sodium;butanedioic acid;hydride;hydrogen sulfite.

Molecular Properties

Compound Namesodium;butanedioic acid;hydride;hydrogen sulfite
PubChem CID174306184
Molecular FormulaC4H8NaO7S-
Molecular Weight223.16 g/mol
Exact Mass222.99
IUPAC Namesodium;butanedioic acid;hydride;hydrogen sulfite
SMILESO=C(O)CCC(=O)O.O=S([O-])O.[H-].[Na+]
InChIInChI=1S/C4H6O4.Na.H2O3S.H/c5-3(6)1-2-4(7)8;;1-4(2)3;/h1-2H2,(H,5,6)(H,7,8);;(H2,1,2,3);/q;+1;;-1/p-1
InChIKeyFRZBTJWWMHMNLK-UHFFFAOYSA-M
XLogP-3.61
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 5-3.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;butanedioic acid;hydride;trihydrate
CID 173259329
sodium;butanedioic acid;hydride;iron
CID 173304011
trisodium;butanedioic acid
CID 175698490
disodium;butanedioic acid;hexanedioate
CID 163708561
bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
sodium;azane;hydrogen sulfite
CID 173222991
bis(butanedioic acid);silane
CID 173419629
sodium;zinc;hydrogen sulfite
CID 160800284
sodium;hydrogen sulfite;sulfurous acid
CID 173350028
potassium;hydrogen peroxide;hydrogen sulfite
CID 174371450
azane;butanedioic acid
CID 87070561

Frequently Asked Questions

What is the IUPAC name of sodium;butanedioic acid;hydride;hydrogen sulfite?
The IUPAC name of sodium;butanedioic acid;hydride;hydrogen sulfite (CID 174306184) is sodium;butanedioic acid;hydride;hydrogen sulfite.
What is the SMILES notation for sodium;butanedioic acid;hydride;hydrogen sulfite?
The canonical SMILES for sodium;butanedioic acid;hydride;hydrogen sulfite is O=C(O)CCC(=O)O.O=S([O-])O.[H-].[Na+].
What is the InChIKey of sodium;butanedioic acid;hydride;hydrogen sulfite?
The InChIKey is FRZBTJWWMHMNLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O4.Na.H2O3S.H/c5-3(6)1-2-4(7)8;;1-4(2)3;/h1-2H2,(H,5,6)(H,7,8);;(H2,1,2,3);/q;+1;;-1/p-1.
What are the key properties of sodium;butanedioic acid;hydride;hydrogen sulfite?
sodium;butanedioic acid;hydride;hydrogen sulfite has a molecular weight of 223.16 g/mol, XLogP of -3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butanedioic acid;hydride;hydrogen sulfite is sourced from PubChem (CID 174306184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).