bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen

C12H22BiK3O14 — CID 170844588

IUPACbismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[K+].[K+].[K+]
InChIInChI=1S/2C6H8O7.Bi.3K.6H2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;6*1H/q;;+3;3*+1;;;;;;/p-6
InChIKeyUTEJESJULMYYFD-UHFFFAOYSA-H
MW716.57 g/mol
LogP-18.40
Rot. Bonds10

About bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen

bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen (PubChem CID 170844588) has the molecular formula C12H22BiK3O14 and a molecular weight of 716.57 g/mol. Its IUPAC name is bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen.

Molecular Properties

Compound Namebismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen
PubChem CID170844588
Molecular FormulaC12H22BiK3O14
Molecular Weight716.57 g/mol
Exact Mass715.97
IUPAC Namebismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[K+].[K+].[K+]
InChIInChI=1S/2C6H8O7.Bi.3K.6H2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;6*1H/q;;+3;3*+1;;;;;;/p-6
InChIKeyUTEJESJULMYYFD-UHFFFAOYSA-H
XLogP-18.40
TPSA281.24 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.57
LogP ≤ 5-18.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Related Compounds

bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
CID 19784307
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;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen?
The IUPAC name of bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen (CID 170844588) is bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen.
What is the SMILES notation for bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen?
The canonical SMILES for bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[K+].[K+].[K+].
What is the InChIKey of bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen?
The InChIKey is UTEJESJULMYYFD-UHFFFAOYSA-H. The full InChI is InChI=1S/2C6H8O7.Bi.3K.6H2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;6*1H/q;;+3;3*+1;;;;;;/p-6.
What are the key properties of bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen?
bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen has a molecular weight of 716.57 g/mol, XLogP of -18.40, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen is sourced from PubChem (CID 170844588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).