barium(2+);diphosphono hydrogen phosphate;hydride;titanium

H7BaO10P3Ti — CID 174660912

IUPACbarium(2+);diphosphono hydrogen phosphate;hydride;titanium
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O.[Ba+2].[H-].[H-].[Ti]
InChIInChI=1S/Ba.H5O10P3.Ti.2H/c;1-11(2,3)9-13(7,8)10-12(4,5)6;;;/h;(H,7,8)(H2,1,2,3)(H2,4,5,6);;;/q+2;;;2*-1
InChIKeySNQCNHAZBKMGQF-UHFFFAOYSA-N
MW445.16 g/mol
LogP-0.85
Rot. Bonds4

About barium(2+);diphosphono hydrogen phosphate;hydride;titanium

barium(2+);diphosphono hydrogen phosphate;hydride;titanium (PubChem CID 174660912) has the molecular formula H7BaO10P3Ti and a molecular weight of 445.16 g/mol. Its IUPAC name is barium(2+);diphosphono hydrogen phosphate;hydride;titanium.

Molecular Properties

Compound Namebarium(2+);diphosphono hydrogen phosphate;hydride;titanium
PubChem CID174660912
Molecular FormulaH7BaO10P3Ti
Molecular Weight445.16 g/mol
Exact Mass445.78
IUPAC Namebarium(2+);diphosphono hydrogen phosphate;hydride;titanium
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O.[Ba+2].[H-].[H-].[Ti]
InChIInChI=1S/Ba.H5O10P3.Ti.2H/c;1-11(2,3)9-13(7,8)10-12(4,5)6;;;/h;(H,7,8)(H2,1,2,3)(H2,4,5,6);;;/q+2;;;2*-1
InChIKeySNQCNHAZBKMGQF-UHFFFAOYSA-N
XLogP-0.85
TPSA170.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 174664429
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CID 175142394
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
CID 170843855
CID 170843855
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
CID 131848730
CID 131848730
sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium
CID 173296088
dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate
CID 173221128

Frequently Asked Questions

What is the IUPAC name of barium(2+);diphosphono hydrogen phosphate;hydride;titanium?
The IUPAC name of barium(2+);diphosphono hydrogen phosphate;hydride;titanium (CID 174660912) is barium(2+);diphosphono hydrogen phosphate;hydride;titanium.
What is the SMILES notation for barium(2+);diphosphono hydrogen phosphate;hydride;titanium?
The canonical SMILES for barium(2+);diphosphono hydrogen phosphate;hydride;titanium is O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[Ba+2].[H-].[H-].[Ti].
What is the InChIKey of barium(2+);diphosphono hydrogen phosphate;hydride;titanium?
The InChIKey is SNQCNHAZBKMGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.H5O10P3.Ti.2H/c;1-11(2,3)9-13(7,8)10-12(4,5)6;;;/h;(H,7,8)(H2,1,2,3)(H2,4,5,6);;;/q+2;;;2*-1.
What are the key properties of barium(2+);diphosphono hydrogen phosphate;hydride;titanium?
barium(2+);diphosphono hydrogen phosphate;hydride;titanium has a molecular weight of 445.16 g/mol, XLogP of -0.85, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);diphosphono hydrogen phosphate;hydride;titanium is sourced from PubChem (CID 174660912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).