bis(hydroxy-methyl-oxophosphanium);methane

C3H12O4P2+2 — CID 22015086

IUPACbis(hydroxy-methyl-oxophosphanium);methane
SMILESC.C[P+](=O)O.C[P+](=O)O
InChIInChI=1S/2CH3O2P.CH4/c2*1-4(2)3;/h2*1H3;1H4/p+2
InChIKeyZQHPSFJHEGNFGN-UHFFFAOYSA-P
MW174.07 g/mol
LogP1.34
Rot. Bonds

About bis(hydroxy-methyl-oxophosphanium);methane

bis(hydroxy-methyl-oxophosphanium);methane (PubChem CID 22015086) has the molecular formula C3H12O4P2+2 and a molecular weight of 174.07 g/mol. Its IUPAC name is bis(hydroxy-methyl-oxophosphanium);methane.

Molecular Properties

Compound Namebis(hydroxy-methyl-oxophosphanium);methane
PubChem CID22015086
Molecular FormulaC3H12O4P2+2
Molecular Weight174.07 g/mol
Exact Mass174.02
IUPAC Namebis(hydroxy-methyl-oxophosphanium);methane
SMILESC.C[P+](=O)O.C[P+](=O)O
InChIInChI=1S/2CH3O2P.CH4/c2*1-4(2)3;/h2*1H3;1H4/p+2
InChIKeyZQHPSFJHEGNFGN-UHFFFAOYSA-P
XLogP1.34
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.07
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(hydroxy-methyl-oxophosphanium);methane?
The IUPAC name of bis(hydroxy-methyl-oxophosphanium);methane (CID 22015086) is bis(hydroxy-methyl-oxophosphanium);methane.
What is the SMILES notation for bis(hydroxy-methyl-oxophosphanium);methane?
The canonical SMILES for bis(hydroxy-methyl-oxophosphanium);methane is C.C[P+](=O)O.C[P+](=O)O.
What is the InChIKey of bis(hydroxy-methyl-oxophosphanium);methane?
The InChIKey is ZQHPSFJHEGNFGN-UHFFFAOYSA-P. The full InChI is InChI=1S/2CH3O2P.CH4/c2*1-4(2)3;/h2*1H3;1H4/p+2.
What are the key properties of bis(hydroxy-methyl-oxophosphanium);methane?
bis(hydroxy-methyl-oxophosphanium);methane has a molecular weight of 174.07 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxy-methyl-oxophosphanium);methane is sourced from PubChem (CID 22015086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).