hydron;phosphono phosphate

H4O7P2 — CID 173008659

IUPAChydron;phosphono phosphate
SMILESO=P([O-])([O-])OP(=O)(O)O.[H+].[H+]
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-N
MW177.97 g/mol
LogP-1.85
Rot. Bonds2

About hydron;phosphono phosphate

hydron;phosphono phosphate (PubChem CID 173008659) has the molecular formula H4O7P2 and a molecular weight of 177.97 g/mol. Its IUPAC name is hydron;phosphono phosphate.

Molecular Properties

Compound Namehydron;phosphono phosphate
PubChem CID173008659
Molecular FormulaH4O7P2
Molecular Weight177.97 g/mol
Exact Mass177.94
IUPAC Namehydron;phosphono phosphate
SMILESO=P([O-])([O-])OP(=O)(O)O.[H+].[H+]
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-N
XLogP-1.85
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.97
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;phosphono phosphate?
The IUPAC name of hydron;phosphono phosphate (CID 173008659) is hydron;phosphono phosphate.
What is the SMILES notation for hydron;phosphono phosphate?
The canonical SMILES for hydron;phosphono phosphate is O=P([O-])([O-])OP(=O)(O)O.[H+].[H+].
What is the InChIKey of hydron;phosphono phosphate?
The InChIKey is XPPKVPWEQAFLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6).
What are the key properties of hydron;phosphono phosphate?
hydron;phosphono phosphate has a molecular weight of 177.97 g/mol, XLogP of -1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;phosphono phosphate is sourced from PubChem (CID 173008659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).