2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid

C12H15O12S3Sb — CID 15630343

IUPAC2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid
SMILESO=C(O)CC(S[Sb](SC(CC(=O)O)C(=O)O)SC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/3C4H6O4S.Sb/c3*5-3(6)1-2(9)4(7)8;/h3*2,9H,1H2,(H,5,6)(H,7,8);/q;;;+3/p-3
InChIKeyRIQPOGDQSKYVFD-UHFFFAOYSA-K
MW569.20 g/mol
LogP-0.05
Rot. Bonds15

About 2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid

2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid (PubChem CID 15630343) has the molecular formula C12H15O12S3Sb and a molecular weight of 569.20 g/mol. Its IUPAC name is 2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid.

Molecular Properties

Compound Name2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid
PubChem CID15630343
Molecular FormulaC12H15O12S3Sb
Molecular Weight569.20 g/mol
Exact Mass567.88
IUPAC Name2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid
SMILESO=C(O)CC(S[Sb](SC(CC(=O)O)C(=O)O)SC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/3C4H6O4S.Sb/c3*5-3(6)1-2(9)4(7)8;/h3*2,9H,1H2,(H,5,6)(H,7,8);/q;;;+3/p-3
InChIKeyRIQPOGDQSKYVFD-UHFFFAOYSA-K
XLogP-0.05
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid?
The IUPAC name of 2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid (CID 15630343) is 2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid.
What is the SMILES notation for 2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid?
The canonical SMILES for 2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid is O=C(O)CC(S[Sb](SC(CC(=O)O)C(=O)O)SC(CC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of 2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid?
The InChIKey is RIQPOGDQSKYVFD-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H6O4S.Sb/c3*5-3(6)1-2(9)4(7)8;/h3*2,9H,1H2,(H,5,6)(H,7,8);/q;;;+3/p-3.
What are the key properties of 2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid?
2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid has a molecular weight of 569.20 g/mol, XLogP of -0.05, 15 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1,2-dicarboxyethylsulfanyl)stibanylsulfanyl]butanedioic acid is sourced from PubChem (CID 15630343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).