bis(antimony(3+));tris(pentanedioate)

C15H18O12Sb2 — CID 19376891

IUPACbis(antimony(3+));tris(pentanedioate)
SMILESO=C([O-])CCCC(=O)[O-].O=C([O-])CCCC(=O)[O-].O=C([O-])CCCC(=O)[O-].[Sb+3].[Sb+3]
InChIInChI=1S/3C5H8O4.2Sb/c3*6-4(7)2-1-3-5(8)9;;/h3*1-3H2,(H,6,7)(H,8,9);;/q;;;2*+3/p-6
InChIKeyPCECGWJVLBDHRS-UHFFFAOYSA-H
MW633.82 g/mol
LogP-7.79
Rot. Bonds12

About bis(antimony(3+));tris(pentanedioate)

bis(antimony(3+));tris(pentanedioate) (PubChem CID 19376891) has the molecular formula C15H18O12Sb2 and a molecular weight of 633.82 g/mol. Its IUPAC name is bis(antimony(3+));tris(pentanedioate).

Molecular Properties

Compound Namebis(antimony(3+));tris(pentanedioate)
PubChem CID19376891
Molecular FormulaC15H18O12Sb2
Molecular Weight633.82 g/mol
Exact Mass631.89
IUPAC Namebis(antimony(3+));tris(pentanedioate)
SMILESO=C([O-])CCCC(=O)[O-].O=C([O-])CCCC(=O)[O-].O=C([O-])CCCC(=O)[O-].[Sb+3].[Sb+3]
InChIInChI=1S/3C5H8O4.2Sb/c3*6-4(7)2-1-3-5(8)9;;/h3*1-3H2,(H,6,7)(H,8,9);;/q;;;2*+3/p-6
InChIKeyPCECGWJVLBDHRS-UHFFFAOYSA-H
XLogP-7.79
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.82
LogP ≤ 5-7.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

cadmium(2+);pentanedioate
CID 19376914
disodium;pentanedioate;hydrochloride
CID 175525255
cadmium(2+);hexanedioate
CID 19376883
magnesium hexanedioate
CID 24074
strontium hexanedioate
CID 134687758
tridecanedioate
CID 6994474
disodium;undecanedioate
CID 15107599
dipotassium;octadecanedioate
CID 141466899
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
lithium;hexanedioate;hydron
CID 87066964

Frequently Asked Questions

What is the IUPAC name of bis(antimony(3+));tris(pentanedioate)?
The IUPAC name of bis(antimony(3+));tris(pentanedioate) (CID 19376891) is bis(antimony(3+));tris(pentanedioate).
What is the SMILES notation for bis(antimony(3+));tris(pentanedioate)?
The canonical SMILES for bis(antimony(3+));tris(pentanedioate) is O=C([O-])CCCC(=O)[O-].O=C([O-])CCCC(=O)[O-].O=C([O-])CCCC(=O)[O-].[Sb+3].[Sb+3].
What is the InChIKey of bis(antimony(3+));tris(pentanedioate)?
The InChIKey is PCECGWJVLBDHRS-UHFFFAOYSA-H. The full InChI is InChI=1S/3C5H8O4.2Sb/c3*6-4(7)2-1-3-5(8)9;;/h3*1-3H2,(H,6,7)(H,8,9);;/q;;;2*+3/p-6.
What are the key properties of bis(antimony(3+));tris(pentanedioate)?
bis(antimony(3+));tris(pentanedioate) has a molecular weight of 633.82 g/mol, XLogP of -7.79, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(antimony(3+));tris(pentanedioate) is sourced from PubChem (CID 19376891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).