bismuth tris(2-hydroxy-2-methoxyacetate)

C9H15BiO12 — CID 22600203

IUPACbismuth tris(2-hydroxy-2-methoxyacetate)
SMILESCOC(O)C(=O)[O-].COC(O)C(=O)[O-].COC(O)C(=O)[O-].[Bi+3]
InChIInChI=1S/3C3H6O4.Bi/c3*1-7-3(6)2(4)5;/h3*3,6H,1H3,(H,4,5);/q;;;+3/p-3
InChIKeyBOKJTJHQBYWLFI-UHFFFAOYSA-K
MW524.19 g/mol
LogP-7.28
Rot. Bonds6

About bismuth tris(2-hydroxy-2-methoxyacetate)

bismuth tris(2-hydroxy-2-methoxyacetate) (PubChem CID 22600203) has the molecular formula C9H15BiO12 and a molecular weight of 524.19 g/mol. Its IUPAC name is bismuth tris(2-hydroxy-2-methoxyacetate).

Molecular Properties

Compound Namebismuth tris(2-hydroxy-2-methoxyacetate)
PubChem CID22600203
Molecular FormulaC9H15BiO12
Molecular Weight524.19 g/mol
Exact Mass524.04
IUPAC Namebismuth tris(2-hydroxy-2-methoxyacetate)
SMILESCOC(O)C(=O)[O-].COC(O)C(=O)[O-].COC(O)C(=O)[O-].[Bi+3]
InChIInChI=1S/3C3H6O4.Bi/c3*1-7-3(6)2(4)5;/h3*3,6H,1H3,(H,4,5);/q;;;+3/p-3
InChIKeyBOKJTJHQBYWLFI-UHFFFAOYSA-K
XLogP-7.28
TPSA208.77 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.19
LogP ≤ 5-7.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-hydroxy-2-methoxybutanoate
CID 73426627
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
dipotassium;1,1-dimethoxyethane;carbonate
CID 174946253
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823
iodanium 2-hydroxypropanoate
CID 158316585
copper bis(2-hydroxypropanoate)
CID 13145
silver (2R)-2-hydroxypropanoate
CID 14178856
potassium 2-hydroxypropanoate
CID 23671663
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
2-hydroxypropanoate;tantalum(5+)
CID 172796362
strontium bis(2-hydroxypropanoate)
CID 91886528

Frequently Asked Questions

What is the IUPAC name of bismuth tris(2-hydroxy-2-methoxyacetate)?
The IUPAC name of bismuth tris(2-hydroxy-2-methoxyacetate) (CID 22600203) is bismuth tris(2-hydroxy-2-methoxyacetate).
What is the SMILES notation for bismuth tris(2-hydroxy-2-methoxyacetate)?
The canonical SMILES for bismuth tris(2-hydroxy-2-methoxyacetate) is COC(O)C(=O)[O-].COC(O)C(=O)[O-].COC(O)C(=O)[O-].[Bi+3].
What is the InChIKey of bismuth tris(2-hydroxy-2-methoxyacetate)?
The InChIKey is BOKJTJHQBYWLFI-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H6O4.Bi/c3*1-7-3(6)2(4)5;/h3*3,6H,1H3,(H,4,5);/q;;;+3/p-3.
What are the key properties of bismuth tris(2-hydroxy-2-methoxyacetate)?
bismuth tris(2-hydroxy-2-methoxyacetate) has a molecular weight of 524.19 g/mol, XLogP of -7.28, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth tris(2-hydroxy-2-methoxyacetate) is sourced from PubChem (CID 22600203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).