bis(dimethoxyphosphorylmethoxy)-oxophosphanium

C6H16O9P3+ — CID 130206118

IUPACbis(dimethoxyphosphorylmethoxy)-oxophosphanium
SMILESCOP(=O)(CO[P+](=O)OCP(=O)(OC)OC)OC
InChIInChI=1S/C6H16O9P3/c1-10-17(8,11-2)5-14-16(7)15-6-18(9,12-3)13-4/h5-6H2,1-4H3/q+1
InChIKeyICDLHKXFQIAXFJ-UHFFFAOYSA-N
MW325.11 g/mol
LogP2.56
Rot. Bonds10

About bis(dimethoxyphosphorylmethoxy)-oxophosphanium

bis(dimethoxyphosphorylmethoxy)-oxophosphanium (PubChem CID 130206118) has the molecular formula C6H16O9P3+ and a molecular weight of 325.11 g/mol. Its IUPAC name is bis(dimethoxyphosphorylmethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(dimethoxyphosphorylmethoxy)-oxophosphanium
PubChem CID130206118
Molecular FormulaC6H16O9P3+
Molecular Weight325.11 g/mol
Exact Mass325.00
IUPAC Namebis(dimethoxyphosphorylmethoxy)-oxophosphanium
SMILESCOP(=O)(CO[P+](=O)OCP(=O)(OC)OC)OC
InChIInChI=1S/C6H16O9P3/c1-10-17(8,11-2)5-14-16(7)15-6-18(9,12-3)13-4/h5-6H2,1-4H3/q+1
InChIKeyICDLHKXFQIAXFJ-UHFFFAOYSA-N
XLogP2.56
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.11
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze bis(dimethoxyphosphorylmethoxy)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(dimethoxyphosphorylmethoxy)-oxophosphanium?
The IUPAC name of bis(dimethoxyphosphorylmethoxy)-oxophosphanium (CID 130206118) is bis(dimethoxyphosphorylmethoxy)-oxophosphanium.
What is the SMILES notation for bis(dimethoxyphosphorylmethoxy)-oxophosphanium?
The canonical SMILES for bis(dimethoxyphosphorylmethoxy)-oxophosphanium is COP(=O)(CO[P+](=O)OCP(=O)(OC)OC)OC.
What is the InChIKey of bis(dimethoxyphosphorylmethoxy)-oxophosphanium?
The InChIKey is ICDLHKXFQIAXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O9P3/c1-10-17(8,11-2)5-14-16(7)15-6-18(9,12-3)13-4/h5-6H2,1-4H3/q+1.
What are the key properties of bis(dimethoxyphosphorylmethoxy)-oxophosphanium?
bis(dimethoxyphosphorylmethoxy)-oxophosphanium has a molecular weight of 325.11 g/mol, XLogP of 2.56, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethoxyphosphorylmethoxy)-oxophosphanium is sourced from PubChem (CID 130206118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).