hafnium;phosphono dihydrogen phosphate

H4HfO7P2 — CID 173013366

IUPAChafnium;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.[Hf]
InChIInChI=1S/Hf.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)
InChIKeyBSMPFCWHLLYADP-UHFFFAOYSA-N
MW356.46 g/mol
LogP-0.81
Rot. Bonds2

About hafnium;phosphono dihydrogen phosphate

hafnium;phosphono dihydrogen phosphate (PubChem CID 173013366) has the molecular formula H4HfO7P2 and a molecular weight of 356.46 g/mol. Its IUPAC name is hafnium;phosphono dihydrogen phosphate.

Molecular Properties

Compound Namehafnium;phosphono dihydrogen phosphate
PubChem CID173013366
Molecular FormulaH4HfO7P2
Molecular Weight356.46 g/mol
Exact Mass357.89
IUPAC Namehafnium;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.[Hf]
InChIInChI=1S/Hf.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)
InChIKeyBSMPFCWHLLYADP-UHFFFAOYSA-N
XLogP-0.81
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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manganese;phosphono dihydrogen phosphate;phosphoric acid
CID 174967015
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
magnesium pyrophosphate hydrate
CID 176515646
beryllium;hydride;phosphono dihydrogen phosphate
CID 174815084
alumane;phosphono dihydrogen phosphate;zinc
CID 174869151
potassium;hydride;phosphono dihydrogen phosphate;hydrate
CID 173371445
magnesium;copper;hydride;phosphono dihydrogen phosphate
CID 174923611

Frequently Asked Questions

What is the IUPAC name of hafnium;phosphono dihydrogen phosphate?
The IUPAC name of hafnium;phosphono dihydrogen phosphate (CID 173013366) is hafnium;phosphono dihydrogen phosphate.
What is the SMILES notation for hafnium;phosphono dihydrogen phosphate?
The canonical SMILES for hafnium;phosphono dihydrogen phosphate is O=P(O)(O)OP(=O)(O)O.[Hf].
What is the InChIKey of hafnium;phosphono dihydrogen phosphate?
The InChIKey is BSMPFCWHLLYADP-UHFFFAOYSA-N. The full InChI is InChI=1S/Hf.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6).
What are the key properties of hafnium;phosphono dihydrogen phosphate?
hafnium;phosphono dihydrogen phosphate has a molecular weight of 356.46 g/mol, XLogP of -0.81, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;phosphono dihydrogen phosphate is sourced from PubChem (CID 173013366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).