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

C12H12Bi2O18 — CID 3080629

IUPACdibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
SMILESO=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[Bi+3].[Bi+3]
InChIInChI=1S/3C4H6O6.2Bi/c3*5-1(3(7)8)2(6)4(9)10;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;/q;;;2*+3/p-6/t3*1-,2-;;/m111../s1
InChIKeySULICOHAQXOMED-YDXPQRMKSA-H
MW862.17 g/mol
LogP-15.14
Rot. Bonds9

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

dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate) (PubChem CID 3080629) has the molecular formula C12H12Bi2O18 and a molecular weight of 862.17 g/mol. Its IUPAC name is dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate).

Molecular Properties

Compound Namedibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
PubChem CID3080629
Molecular FormulaC12H12Bi2O18
Molecular Weight862.17 g/mol
Exact Mass861.96
IUPAC Namedibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
SMILESO=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[Bi+3].[Bi+3]
InChIInChI=1S/3C4H6O6.2Bi/c3*5-1(3(7)8)2(6)4(9)10;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;/q;;;2*+3/p-6/t3*1-,2-;;/m111../s1
InChIKeySULICOHAQXOMED-YDXPQRMKSA-H
XLogP-15.14
TPSA362.16 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500862.17
LogP ≤ 5-15.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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Related Compounds

dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823
2,3-dihydroxybutanedioate
CID 19608871
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
azanium;2,3-dihydroxybutanedioate;iron(3+)
CID 22027283
copper;2,3-dihydroxybutanedioate;tetrahydrate
CID 159915205
calcium;carbonic acid;2,3-dihydroxybutanedioate
CID 158616443
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
dicalcium;bis(2,3-dihydroxybutanedioate);tetrahydrate
CID 159194146
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608
azanium;cerium(3+);2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 90475534
calcium;2,3-dihydroxybutanedioate;hydrate
CID 161409159

Frequently Asked Questions

What is the IUPAC name of dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)?
The IUPAC name of dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate) (CID 3080629) is dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate).
What is the SMILES notation for dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)?
The canonical SMILES for dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate) is O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[Bi+3].[Bi+3].
What is the InChIKey of dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)?
The InChIKey is SULICOHAQXOMED-YDXPQRMKSA-H. The full InChI is InChI=1S/3C4H6O6.2Bi/c3*5-1(3(7)8)2(6)4(9)10;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;/q;;;2*+3/p-6/t3*1-,2-;;/m111../s1.
What are the key properties of dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)?
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate) has a molecular weight of 862.17 g/mol, XLogP of -15.14, 9 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate) is sourced from PubChem (CID 3080629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).