dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate

C20H38Bi2K3O34+9 — CID 56963012

IUPACdibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate
SMILESO.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.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.[Bi+3].[Bi+3].[K+].[K+].[K+]
InChIInChI=1S/5C4H6O6.2Bi.3K.4H2O/c5*5-1(3(7)8)2(6)4(9)10;;;;;;;;;/h5*1-2,5-6H,(H,7,8)(H,9,10);;;;;;4*1H2/q;;;;;2*+3;3*+1;;;;
InChIKeyQOOLJRJJQZNFNU-UHFFFAOYSA-N
MW1357.74 g/mol
LogP-23.66
Rot. Bonds15

About dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate

dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate (PubChem CID 56963012) has the molecular formula C20H38Bi2K3O34+9 and a molecular weight of 1357.74 g/mol. Its IUPAC name is dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate.

Molecular Properties

Compound Namedibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate
PubChem CID56963012
Molecular FormulaC20H38Bi2K3O34+9
Molecular Weight1357.74 g/mol
Exact Mass1356.97
IUPAC Namedibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate
SMILESO.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.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.[Bi+3].[Bi+3].[K+].[K+].[K+]
InChIInChI=1S/5C4H6O6.2Bi.3K.4H2O/c5*5-1(3(7)8)2(6)4(9)10;;;;;;;;;/h5*1-2,5-6H,(H,7,8)(H,9,10);;;;;;4*1H2/q;;;;;2*+3;3*+1;;;;
InChIKeyQOOLJRJJQZNFNU-UHFFFAOYSA-N
XLogP-23.66
TPSA701.30 Ų
H-Bond Donors20
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001357.74
LogP ≤ 5-23.66
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1020

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Related Compounds

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CID 173108062
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
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dilithium;2,3-dihydroxybutanedioic acid;hydride;hydrate
CID 173273256
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
CID 175721627
CID 175721627
CID 88745910
CID 88745910
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038

Frequently Asked Questions

What is the IUPAC name of dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate?
The IUPAC name of dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate (CID 56963012) is dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate.
What is the SMILES notation for dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate?
The canonical SMILES for dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate is 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.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.[Bi+3].[Bi+3].[K+].[K+].[K+].
What is the InChIKey of dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate?
The InChIKey is QOOLJRJJQZNFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/5C4H6O6.2Bi.3K.4H2O/c5*5-1(3(7)8)2(6)4(9)10;;;;;;;;;/h5*1-2,5-6H,(H,7,8)(H,9,10);;;;;;4*1H2/q;;;;;2*+3;3*+1;;;;.
What are the key properties of dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate?
dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate has a molecular weight of 1357.74 g/mol, XLogP of -23.66, 15 rotatable bonds, 20 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate is sourced from PubChem (CID 56963012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).