sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)

C8H10BiNaO13 — CID 158452904

IUPACsodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)
SMILESO=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O.O=[Bi+].[Na+]
InChIInChI=1S/2C4H6O6.Bi.Na.O/c2*5-1(3(7)8)2(6)4(9)10;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;;/q;;2*+1;/p-2
InChIKeyHZVWPUREMKARRR-UHFFFAOYSA-L
MW546.13 g/mol
LogP-10.41
Rot. Bonds6

About sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)

sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate) (PubChem CID 158452904) has the molecular formula C8H10BiNaO13 and a molecular weight of 546.13 g/mol. Its IUPAC name is sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate).

Molecular Properties

Compound Namesodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)
PubChem CID158452904
Molecular FormulaC8H10BiNaO13
Molecular Weight546.13 g/mol
Exact Mass545.98
IUPAC Namesodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)
SMILESO=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O.O=[Bi+].[Na+]
InChIInChI=1S/2C4H6O6.Bi.Na.O/c2*5-1(3(7)8)2(6)4(9)10;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;;/q;;2*+1;/p-2
InChIKeyHZVWPUREMKARRR-UHFFFAOYSA-L
XLogP-10.41
TPSA252.85 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500546.13
LogP ≤ 5-10.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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Related Compounds

(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 24755569
chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
CID 173015328
azanium 2,3,4-trihydroxy-4-oxobutanoate
CID 6432315
potassium;azane;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 102600774
CID 6378487
CID 6378487
methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 139045346
sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate
CID 162037080
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608
CID 86636910
CID 86636910
2,3-dihydroxybutanedioate
CID 19608871
magnesium;sodium;zinc;2,3,4-trihydroxy-4-oxobutanoate;disulfate
CID 172720398

Frequently Asked Questions

What is the IUPAC name of sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)?
The IUPAC name of sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate) (CID 158452904) is sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate).
What is the SMILES notation for sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)?
The canonical SMILES for sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate) is O=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O.O=[Bi+].[Na+].
What is the InChIKey of sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)?
The InChIKey is HZVWPUREMKARRR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H6O6.Bi.Na.O/c2*5-1(3(7)8)2(6)4(9)10;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;;/q;;2*+1;/p-2.
What are the key properties of sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)?
sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate) has a molecular weight of 546.13 g/mol, XLogP of -10.41, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate) is sourced from PubChem (CID 158452904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).