barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane

C4H11BaO6Sb — CID 173390294

IUPACbarium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane
SMILESO=C(O)C(O)C(O)C(=O)O.[Ba+2].[H-].[H-].[SbH3]
InChIInChI=1S/C4H6O6.Ba.Sb.5H/c5-1(3(7)8)2(6)4(9)10;;;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;;;;/q;+2;;;;;2*-1
InChIKeyOAWOSGQJQSQUEF-UHFFFAOYSA-N
MW414.21 g/mol
LogP-3.46
Rot. Bonds3

About barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane

barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane (PubChem CID 173390294) has the molecular formula C4H11BaO6Sb and a molecular weight of 414.21 g/mol. Its IUPAC name is barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane.

Molecular Properties

Compound Namebarium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane
PubChem CID173390294
Molecular FormulaC4H11BaO6Sb
Molecular Weight414.21 g/mol
Exact Mass413.86
IUPAC Namebarium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane
SMILESO=C(O)C(O)C(O)C(=O)O.[Ba+2].[H-].[H-].[SbH3]
InChIInChI=1S/C4H6O6.Ba.Sb.5H/c5-1(3(7)8)2(6)4(9)10;;;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;;;;/q;+2;;;;;2*-1
InChIKeyOAWOSGQJQSQUEF-UHFFFAOYSA-N
XLogP-3.46
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.21
LogP ≤ 5-3.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 173054452
CID 173054452
lithium;potassium;2,3-dihydroxybutanedioic acid;hydride
CID 173108062
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446
dilithium;2,3-dihydroxybutanedioic acid;hydride;hydrate
CID 173273256
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
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

Frequently Asked Questions

What is the IUPAC name of barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane?
The IUPAC name of barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane (CID 173390294) is barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane.
What is the SMILES notation for barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane?
The canonical SMILES for barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane is O=C(O)C(O)C(O)C(=O)O.[Ba+2].[H-].[H-].[SbH3].
What is the InChIKey of barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane?
The InChIKey is OAWOSGQJQSQUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.Ba.Sb.5H/c5-1(3(7)8)2(6)4(9)10;;;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;;;;/q;+2;;;;;2*-1.
What are the key properties of barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane?
barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane has a molecular weight of 414.21 g/mol, XLogP of -3.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane is sourced from PubChem (CID 173390294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).