triazanium;phosphoric acid;phosphate

H15N3O8P2 — CID 18943137

IUPACtriazanium;phosphoric acid;phosphate
SMILESO=P(O)(O)O.O=P([O-])([O-])[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/3H3N.2H3O4P/c;;;2*1-5(2,3)4/h3*1H3;2*(H3,1,2,3,4)
InChIKeyANHSGCWTORACPM-UHFFFAOYSA-N
MW247.08 g/mol
LogP-2.62
Rot. Bonds

About triazanium;phosphoric acid;phosphate

triazanium;phosphoric acid;phosphate (PubChem CID 18943137) has the molecular formula H15N3O8P2 and a molecular weight of 247.08 g/mol. Its IUPAC name is triazanium;phosphoric acid;phosphate.

Molecular Properties

Compound Nametriazanium;phosphoric acid;phosphate
PubChem CID18943137
Molecular FormulaH15N3O8P2
Molecular Weight247.08 g/mol
Exact Mass247.03
IUPAC Nametriazanium;phosphoric acid;phosphate
SMILESO=P(O)(O)O.O=P([O-])([O-])[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/3H3N.2H3O4P/c;;;2*1-5(2,3)4/h3*1H3;2*(H3,1,2,3,4)
InChIKeyANHSGCWTORACPM-UHFFFAOYSA-N
XLogP-2.62
TPSA273.51 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.08
LogP ≤ 5-2.62
H-Bond Donors ≤ 56
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 173388644
CID 173388644
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Frequently Asked Questions

What is the IUPAC name of triazanium;phosphoric acid;phosphate?
The IUPAC name of triazanium;phosphoric acid;phosphate (CID 18943137) is triazanium;phosphoric acid;phosphate.
What is the SMILES notation for triazanium;phosphoric acid;phosphate?
The canonical SMILES for triazanium;phosphoric acid;phosphate is O=P(O)(O)O.O=P([O-])([O-])[O-].[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;phosphoric acid;phosphate?
The InChIKey is ANHSGCWTORACPM-UHFFFAOYSA-N. The full InChI is InChI=1S/3H3N.2H3O4P/c;;;2*1-5(2,3)4/h3*1H3;2*(H3,1,2,3,4).
What are the key properties of triazanium;phosphoric acid;phosphate?
triazanium;phosphoric acid;phosphate has a molecular weight of 247.08 g/mol, XLogP of -2.62, 0 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;phosphoric acid;phosphate is sourced from PubChem (CID 18943137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).