dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate

C12H24Bi2O24 — CID 173203823

IUPACdibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
SMILESO.O.O.O.O.O.O=C([O-])C(O)C(O)C(=O)[O-].O=C([O-])C(O)C(O)C(=O)[O-].O=C([O-])C(O)C(O)C(=O)[O-].[Bi+3].[Bi+3]
InChIInChI=1S/3C4H6O6.2Bi.6H2O/c3*5-1(3(7)8)2(6)4(9)10;;;;;;;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;;6*1H2/q;;;2*+3;;;;;;/p-6
InChIKeyXSZKDBGPNZPIGL-UHFFFAOYSA-H
MW970.26 g/mol
LogP-20.09
Rot. Bonds9

About dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate

dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate (PubChem CID 173203823) has the molecular formula C12H24Bi2O24 and a molecular weight of 970.26 g/mol. Its IUPAC name is dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate.

Molecular Properties

Compound Namedibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
PubChem CID173203823
Molecular FormulaC12H24Bi2O24
Molecular Weight970.26 g/mol
Exact Mass970.03
IUPAC Namedibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
SMILESO.O.O.O.O.O.O=C([O-])C(O)C(O)C(=O)[O-].O=C([O-])C(O)C(O)C(=O)[O-].O=C([O-])C(O)C(O)C(=O)[O-].[Bi+3].[Bi+3]
InChIInChI=1S/3C4H6O6.2Bi.6H2O/c3*5-1(3(7)8)2(6)4(9)10;;;;;;;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;;6*1H2/q;;;2*+3;;;;;;/p-6
InChIKeyXSZKDBGPNZPIGL-UHFFFAOYSA-H
XLogP-20.09
TPSA551.16 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500970.26
LogP ≤ 5-20.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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Related Compounds

dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
copper;2,3-dihydroxybutanedioate;tetrahydrate
CID 159915205
dicalcium;bis(2,3-dihydroxybutanedioate);tetrahydrate
CID 159194146
calcium;2,3-dihydroxybutanedioate;hydrate
CID 161409159
copper(1+);2,3-dihydroxybutanedioate;hydrate
CID 22034457
2,3-dihydroxybutanedioate
CID 19608871
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
azanium;2,3-dihydroxybutanedioate;iron(3+)
CID 22027283
calcium;carbonic acid;2,3-dihydroxybutanedioate
CID 158616443
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608

Frequently Asked Questions

What is the IUPAC name of dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate?
The IUPAC name of dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate (CID 173203823) is dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate.
What is the SMILES notation for dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate?
The canonical SMILES for dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate is O.O.O.O.O.O.O=C([O-])C(O)C(O)C(=O)[O-].O=C([O-])C(O)C(O)C(=O)[O-].O=C([O-])C(O)C(O)C(=O)[O-].[Bi+3].[Bi+3].
What is the InChIKey of dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate?
The InChIKey is XSZKDBGPNZPIGL-UHFFFAOYSA-H. The full InChI is InChI=1S/3C4H6O6.2Bi.6H2O/c3*5-1(3(7)8)2(6)4(9)10;;;;;;;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;;6*1H2/q;;;2*+3;;;;;;/p-6.
What are the key properties of dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate?
dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate has a molecular weight of 970.26 g/mol, XLogP of -20.09, 9 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate is sourced from PubChem (CID 173203823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).