phosphonomethylazanium nitrate

CH7N2O6P — CID 88813834

IUPACphosphonomethylazanium nitrate
SMILESO=[N+]([O-])[O-].[NH3+]CP(=O)(O)O
InChIInChI=1S/CH6NO3P.NO3/c2-1-6(3,4)5;2-1(3)4/h1-2H2,(H2,3,4,5);/q;-1/p+1
InChIKeyPLCBXJBROJULHZ-UHFFFAOYSA-O
MW174.05 g/mol
LogP-1.88
Rot. Bonds1

About phosphonomethylazanium nitrate

phosphonomethylazanium nitrate (PubChem CID 88813834) has the molecular formula CH7N2O6P and a molecular weight of 174.05 g/mol. Its IUPAC name is phosphonomethylazanium nitrate.

Molecular Properties

Compound Namephosphonomethylazanium nitrate
PubChem CID88813834
Molecular FormulaCH7N2O6P
Molecular Weight174.05 g/mol
Exact Mass174.00
IUPAC Namephosphonomethylazanium nitrate
SMILESO=[N+]([O-])[O-].[NH3+]CP(=O)(O)O
InChIInChI=1S/CH6NO3P.NO3/c2-1-6(3,4)5;2-1(3)4/h1-2H2,(H2,3,4,5);/q;-1/p+1
InChIKeyPLCBXJBROJULHZ-UHFFFAOYSA-O
XLogP-1.88
TPSA151.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.05
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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potassium;azane;phosphoric acid;nitrate
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lanthanum;lanthanum(3+);phosphoric acid;nitrate
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tris(platinum(2+));hexanitrate
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potassium;azane;nitric acid;phosphoric acid;nitrate
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potassium;azane;nitric acid;phosphoric acid;nitrate
CID 174647976
(3-methyl-4-nitrobut-2-enyl)phosphonic acid
CID 173442339
disodium;phosphoric acid;nitrate;nitrite
CID 22990456
CID 172744978
CID 172744978
azane;nitric acid;phosphoric acid
CID 173051793
platinum(2+);dinitrate;hydrate
CID 172723097
platinum(2+);dinitrate;dihydrate
CID 174146497

Frequently Asked Questions

What is the IUPAC name of phosphonomethylazanium nitrate?
The IUPAC name of phosphonomethylazanium nitrate (CID 88813834) is phosphonomethylazanium nitrate.
What is the SMILES notation for phosphonomethylazanium nitrate?
The canonical SMILES for phosphonomethylazanium nitrate is O=[N+]([O-])[O-].[NH3+]CP(=O)(O)O.
What is the InChIKey of phosphonomethylazanium nitrate?
The InChIKey is PLCBXJBROJULHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/CH6NO3P.NO3/c2-1-6(3,4)5;2-1(3)4/h1-2H2,(H2,3,4,5);/q;-1/p+1.
What are the key properties of phosphonomethylazanium nitrate?
phosphonomethylazanium nitrate has a molecular weight of 174.05 g/mol, XLogP of -1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphonomethylazanium nitrate is sourced from PubChem (CID 88813834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).