dihydroxymethylphosphonic acid

CH5O5P — CID 13034651

IUPACdihydroxymethylphosphonic acid
SMILESO=P(O)(O)C(O)O
InChIInChI=1S/CH5O5P/c2-1(3)7(4,5)6/h1-3H,(H2,4,5,6)
InChIKeyJZYXNXYFDFCWKH-UHFFFAOYSA-N
MW128.02 g/mol
LogP-1.57
Rot. Bonds1

About dihydroxymethylphosphonic acid

dihydroxymethylphosphonic acid (PubChem CID 13034651) has the molecular formula CH5O5P and a molecular weight of 128.02 g/mol. Its IUPAC name is dihydroxymethylphosphonic acid.

Molecular Properties

Compound Namedihydroxymethylphosphonic acid
PubChem CID13034651
Molecular FormulaCH5O5P
Molecular Weight128.02 g/mol
Exact Mass127.99
IUPAC Namedihydroxymethylphosphonic acid
SMILESO=P(O)(O)C(O)O
InChIInChI=1S/CH5O5P/c2-1(3)7(4,5)6/h1-3H,(H2,4,5,6)
InChIKeyJZYXNXYFDFCWKH-UHFFFAOYSA-N
XLogP-1.57
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.02
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;phosphoric acid
CID 174789402
[amino(phosphono)methyl]-trihydroxyphosphanium
CID 89151684
azane;methane;phosphoric acid
CID 174060347
azane;phosphoric acid;dihydrochloride
CID 173049818
azane;phosphoric acid;hydrate
CID 173222009
CID 172998917
CID 172998917
azane;iron;phosphoric acid
CID 174725470
azane;phosphoric acid;tungsten
CID 174566468
azane;hydroxymethylphosphonic acid
CID 175028252
azane;phosphonomethylphosphonic acid
CID 18674565
aminomethylphosphonic acid;azane
CID 173452353
CID 90938318
CID 90938318

Frequently Asked Questions

What is the IUPAC name of dihydroxymethylphosphonic acid?
The IUPAC name of dihydroxymethylphosphonic acid (CID 13034651) is dihydroxymethylphosphonic acid.
What is the SMILES notation for dihydroxymethylphosphonic acid?
The canonical SMILES for dihydroxymethylphosphonic acid is O=P(O)(O)C(O)O.
What is the InChIKey of dihydroxymethylphosphonic acid?
The InChIKey is JZYXNXYFDFCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O5P/c2-1(3)7(4,5)6/h1-3H,(H2,4,5,6).
What are the key properties of dihydroxymethylphosphonic acid?
dihydroxymethylphosphonic acid has a molecular weight of 128.02 g/mol, XLogP of -1.57, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxymethylphosphonic acid is sourced from PubChem (CID 13034651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).