bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate)

C12H12O18S3Sb2 — CID 22173781

IUPACbis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate)
SMILESO=C([O-])C(O)SC(O)C(=O)[O-].O=C([O-])C(O)SC(O)C(=O)[O-].O=C([O-])C(O)SC(O)C(=O)[O-].[Sb+3].[Sb+3]
InChIInChI=1S/3C4H6O6S.2Sb/c3*5-1(6)3(9)11-4(10)2(7)8;;/h3*3-4,9-10H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6
InChIKeyZUTMHLPCCZXIIV-UHFFFAOYSA-H
MW783.93 g/mol
LogP-13.19
Rot. Bonds12

About bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate)

bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate) (PubChem CID 22173781) has the molecular formula C12H12O18S3Sb2 and a molecular weight of 783.93 g/mol. Its IUPAC name is bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate).

Molecular Properties

Compound Namebis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate)
PubChem CID22173781
Molecular FormulaC12H12O18S3Sb2
Molecular Weight783.93 g/mol
Exact Mass781.73
IUPAC Namebis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate)
SMILESO=C([O-])C(O)SC(O)C(=O)[O-].O=C([O-])C(O)SC(O)C(=O)[O-].O=C([O-])C(O)SC(O)C(=O)[O-].[Sb+3].[Sb+3]
InChIInChI=1S/3C4H6O6S.2Sb/c3*5-1(6)3(9)11-4(10)2(7)8;;/h3*3-4,9-10H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6
InChIKeyZUTMHLPCCZXIIV-UHFFFAOYSA-H
XLogP-13.19
TPSA362.16 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500783.93
LogP ≤ 5-13.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

disodium;2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate
CID 22572372
potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)
CID 90471392
2,3-dihydroxybutanedioate
CID 19608871
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)
CID 119081407
zinc 2-hydroxypropanedioate
CID 20549630
CID 139243453
CID 139243453
antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)
CID 173393888
disodium;2-(1-carboxylatoethylsulfanyl)propanoate
CID 19787423
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056

Frequently Asked Questions

What is the IUPAC name of bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate)?
The IUPAC name of bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate) (CID 22173781) is bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate).
What is the SMILES notation for bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate)?
The canonical SMILES for bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate) is O=C([O-])C(O)SC(O)C(=O)[O-].O=C([O-])C(O)SC(O)C(=O)[O-].O=C([O-])C(O)SC(O)C(=O)[O-].[Sb+3].[Sb+3].
What is the InChIKey of bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate)?
The InChIKey is ZUTMHLPCCZXIIV-UHFFFAOYSA-H. The full InChI is InChI=1S/3C4H6O6S.2Sb/c3*5-1(6)3(9)11-4(10)2(7)8;;/h3*3-4,9-10H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6.
What are the key properties of bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate)?
bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate) has a molecular weight of 783.93 g/mol, XLogP of -13.19, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate) is sourced from PubChem (CID 22173781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).