Antimony sodium thiomalate

C8H8NaO8S2Sb — CID 129856231

IUPACsodium 4-[(4,7-dioxo-5-sulfanyl-1,3,2-dioxastibepan-2-yl)oxy]-4-oxo-2-sulfanylbutanoate
SMILESC1C(C(=O)O[Sb](OC1=O)OC(=O)CC(C(=O)[O-])S)S.[Na+]
InChIInChI=1S/2C4H6O4S.Na.Sb/c2*5-3(6)1-2(9)4(7)8;;/h2*2,9H,1H2,(H,5,6)(H,7,8);;/q;;+1;+3/p-4
InChIKeyLPUGEGQZSXZREQ-UHFFFAOYSA-J
MW441.00 g/mol
LogP—
Rot. Bonds5

About Antimony sodium thiomalate

Antimony sodium thiomalate (PubChem CID 129856231) has the molecular formula C8H8NaO8S2Sb and a molecular weight of 441.00 g/mol. Its IUPAC name is sodium 4-[(4,7-dioxo-5-sulfanyl-1,3,2-dioxastibepan-2-yl)oxy]-4-oxo-2-sulfanylbutanoate.

Molecular Properties

Compound NameAntimony sodium thiomalate
PubChem CID129856231
Molecular FormulaC8H8NaO8S2Sb
Molecular Weight441.00 g/mol
Exact Mass439.86
IUPAC Namesodium 4-[(4,7-dioxo-5-sulfanyl-1,3,2-dioxastibepan-2-yl)oxy]-4-oxo-2-sulfanylbutanoate
SMILESC1C(C(=O)O[Sb](OC1=O)OC(=O)CC(C(=O)[O-])S)S.[Na+]
InChIInChI=1S/2C4H6O4S.Na.Sb/c2*5-3(6)1-2(9)4(7)8;;/h2*2,9H,1H2,(H,5,6)(H,7,8);;/q;;+1;+3/p-4
InChIKeyLPUGEGQZSXZREQ-UHFFFAOYSA-J
XLogP—
TPSA121.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity419

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Bis[4,7-dioxo-5,6-bis(sulfanyl)-1,3,2-dioxastibepan-2-yl] 2,3-bis(sulfanyl)butanedioate
CID 129634980
Sodium antimony dimercaptosuccinate
CID 129671731
Lithium 4-[(4,7-dioxo-5-sulfanyl-1,3,2-dioxastibepan-2-yl)oxy]-4-oxo-2-sulfanylbutanoate
CID 129691639
Sodium;gold;4-hydroxy-4-oxo-2-sulfanylbutanoate;2-sulfanylbutanedioic acid
CID 129628397
Sodium;gold;4-hydroxy-4-oxo-3-sulfanylbutanoate;2-sulfanylbutanedioic acid
CID 129672477
Tin-dimercaptosuccinate
CID 129720885
Gold sodium thiomalate hydrate
CID 129830057
Sodium antimony mercapto-succinate
CID 132276092
Sodium;gold(3+);bis(2-sulfanylbutanedioate)
CID 85864685
Bis(4,7-dioxo-5-sulfanyl-1,3,2-dioxagallepan-2-yl) 2-sulfanylbutanedioate
CID 140462869
Sodium 3-(disulfanyl)-4-[[5-(disulfanyl)-4,7-dioxo-1,3,2-dioxastibepan-2-yl]oxy]-4-oxobutanoate
CID 140999058
5-Sulfanyl-1,3,2-dioxathiepane-4,7-dione
CID 142706796

Frequently Asked Questions

What is the IUPAC name of Antimony sodium thiomalate?
The IUPAC name of Antimony sodium thiomalate (CID 129856231) is sodium 4-[(4,7-dioxo-5-sulfanyl-1,3,2-dioxastibepan-2-yl)oxy]-4-oxo-2-sulfanylbutanoate.
What is the SMILES notation for Antimony sodium thiomalate?
The canonical SMILES for Antimony sodium thiomalate is C1C(C(=O)O[Sb](OC1=O)OC(=O)CC(C(=O)[O-])S)S.[Na+].
What is the InChIKey of Antimony sodium thiomalate?
The InChIKey is LPUGEGQZSXZREQ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C4H6O4S.Na.Sb/c2*5-3(6)1-2(9)4(7)8;;/h2*2,9H,1H2,(H,5,6)(H,7,8);;/q;;+1;+3/p-4.
What are the key properties of Antimony sodium thiomalate?
Antimony sodium thiomalate has a molecular weight of 441.00 g/mol, XLogP of not available, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for Antimony sodium thiomalate is sourced from PubChem (CID 129856231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).