bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate

C6H5BiKO7+ — CID 19784307

IUPACbismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3].[K+]
InChIInChI=1S/C6H8O7.Bi.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;+3;+1/p-3
InChIKeyKZFDVWZZYOPBQZ-UHFFFAOYSA-K
MW437.18 g/mol
LogP-8.63
Rot. Bonds5

About bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate

bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 19784307) has the molecular formula C6H5BiKO7+ and a molecular weight of 437.18 g/mol. Its IUPAC name is bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Namebismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID19784307
Molecular FormulaC6H5BiKO7+
Molecular Weight437.18 g/mol
Exact Mass436.95
IUPAC Namebismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3].[K+]
InChIInChI=1S/C6H8O7.Bi.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;+3;+1/p-3
InChIKeyKZFDVWZZYOPBQZ-UHFFFAOYSA-K
XLogP-8.63
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.18
LogP ≤ 5-8.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen
CID 170844588
bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 175376328
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate
CID 173491967
hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
CID 19774871
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+)
CID 175693009
sodium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
CID 172852177
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703

Frequently Asked Questions

What is the IUPAC name of bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate (CID 19784307) is bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3].[K+].
What is the InChIKey of bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is KZFDVWZZYOPBQZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.Bi.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;+3;+1/p-3.
What are the key properties of bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate?
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 437.18 g/mol, XLogP of -8.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 19784307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).