azane;hydroxymethylphosphonic acid

CH11N2O4P — CID 175028252

IUPACazane;hydroxymethylphosphonic acid
SMILESN.N.O=P(O)(O)CO
InChIInChI=1S/CH5O4P.2H3N/c2-1-6(3,4)5;;/h2H,1H2,(H2,3,4,5);2*1H3
InChIKeyVJKDVWYPWMCYRU-UHFFFAOYSA-N
MW146.08 g/mol
LogP-0.56
Rot. Bonds1

About azane;hydroxymethylphosphonic acid

azane;hydroxymethylphosphonic acid (PubChem CID 175028252) has the molecular formula CH11N2O4P and a molecular weight of 146.08 g/mol. Its IUPAC name is azane;hydroxymethylphosphonic acid.

Molecular Properties

Compound Nameazane;hydroxymethylphosphonic acid
PubChem CID175028252
Molecular FormulaCH11N2O4P
Molecular Weight146.08 g/mol
Exact Mass146.05
IUPAC Nameazane;hydroxymethylphosphonic acid
SMILESN.N.O=P(O)(O)CO
InChIInChI=1S/CH5O4P.2H3N/c2-1-6(3,4)5;;/h2H,1H2,(H2,3,4,5);2*1H3
InChIKeyVJKDVWYPWMCYRU-UHFFFAOYSA-N
XLogP-0.56
TPSA147.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 5-0.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;phosphonomethylphosphonic acid
CID 18674565
azane;ethane-1,2-diol;phosphoric acid
CID 174794036
tetrapotassium;hydride;2-hydroxyethylphosphonic acid
CID 175031872
aminomethylphosphonic acid;azane
CID 173452353
bis(hydroxymethyl)phosphinic acid;zinc
CID 88775529
azane;phosphoric acid
CID 174789402
CID 174726950
CID 174726950
dihydroxymethylphosphonic acid
CID 13034651
azane;phosphoric acid;dihydrochloride
CID 173049818
azane;phosphoric acid;hydrate
CID 173222009
azane;methane;phosphoric acid
CID 174060347
azane;iron;phosphoric acid
CID 174725470

Frequently Asked Questions

What is the IUPAC name of azane;hydroxymethylphosphonic acid?
The IUPAC name of azane;hydroxymethylphosphonic acid (CID 175028252) is azane;hydroxymethylphosphonic acid.
What is the SMILES notation for azane;hydroxymethylphosphonic acid?
The canonical SMILES for azane;hydroxymethylphosphonic acid is N.N.O=P(O)(O)CO.
What is the InChIKey of azane;hydroxymethylphosphonic acid?
The InChIKey is VJKDVWYPWMCYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O4P.2H3N/c2-1-6(3,4)5;;/h2H,1H2,(H2,3,4,5);2*1H3.
What are the key properties of azane;hydroxymethylphosphonic acid?
azane;hydroxymethylphosphonic acid has a molecular weight of 146.08 g/mol, XLogP of -0.56, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxymethylphosphonic acid is sourced from PubChem (CID 175028252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).