barium(2+);hydride;phosphonoformic acid

CH5BaO5P — CID 173136761

IUPACbarium(2+);hydride;phosphonoformic acid
SMILESO=C(O)P(=O)(O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/CH3O5P.Ba.2H/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;;/q;+2;2*-1
InChIKeyQROJQZRCQRSDLB-UHFFFAOYSA-N
MW265.35 g/mol
LogP-0.31
Rot. Bonds1

About barium(2+);hydride;phosphonoformic acid

barium(2+);hydride;phosphonoformic acid (PubChem CID 173136761) has the molecular formula CH5BaO5P and a molecular weight of 265.35 g/mol. Its IUPAC name is barium(2+);hydride;phosphonoformic acid.

Molecular Properties

Compound Namebarium(2+);hydride;phosphonoformic acid
PubChem CID173136761
Molecular FormulaCH5BaO5P
Molecular Weight265.35 g/mol
Exact Mass265.89
IUPAC Namebarium(2+);hydride;phosphonoformic acid
SMILESO=C(O)P(=O)(O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/CH3O5P.Ba.2H/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;;/q;+2;2*-1
InChIKeyQROJQZRCQRSDLB-UHFFFAOYSA-N
XLogP-0.31
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;phosphonoformic acid?
The IUPAC name of barium(2+);hydride;phosphonoformic acid (CID 173136761) is barium(2+);hydride;phosphonoformic acid.
What is the SMILES notation for barium(2+);hydride;phosphonoformic acid?
The canonical SMILES for barium(2+);hydride;phosphonoformic acid is O=C(O)P(=O)(O)O.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;phosphonoformic acid?
The InChIKey is QROJQZRCQRSDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O5P.Ba.2H/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;;/q;+2;2*-1.
What are the key properties of barium(2+);hydride;phosphonoformic acid?
barium(2+);hydride;phosphonoformic acid has a molecular weight of 265.35 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;phosphonoformic acid is sourced from PubChem (CID 173136761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).