disodium bis(diethyl phosphate)

C8H20Na2O8P2 — CID 57370561

IUPACdisodium bis(diethyl phosphate)
SMILESCCOP(=O)([O-])OCC.CCOP(=O)([O-])OCC.[Na+].[Na+]
InChIInChI=1S/2C4H11O4P.2Na/c2*1-3-7-9(5,6)8-4-2;;/h2*3-4H2,1-2H3,(H,5,6);;/q;;2*+1/p-2
InChIKeyAJTDYEPARNIXBV-UHFFFAOYSA-L
MW352.17 g/mol
LogP-4.94
Rot. Bonds8

About disodium bis(diethyl phosphate)

disodium bis(diethyl phosphate) (PubChem CID 57370561) has the molecular formula C8H20Na2O8P2 and a molecular weight of 352.17 g/mol. Its IUPAC name is disodium bis(diethyl phosphate).

Molecular Properties

Compound Namedisodium bis(diethyl phosphate)
PubChem CID57370561
Molecular FormulaC8H20Na2O8P2
Molecular Weight352.17 g/mol
Exact Mass352.04
IUPAC Namedisodium bis(diethyl phosphate)
SMILESCCOP(=O)([O-])OCC.CCOP(=O)([O-])OCC.[Na+].[Na+]
InChIInChI=1S/2C4H11O4P.2Na/c2*1-3-7-9(5,6)8-4-2;;/h2*3-4H2,1-2H3,(H,5,6);;/q;;2*+1/p-2
InChIKeyAJTDYEPARNIXBV-UHFFFAOYSA-L
XLogP-4.94
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 5-4.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze disodium bis(diethyl phosphate) with MolForge

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

Launch Full Analysis

Related Compounds

copper bis(diethyl phosphate)
CID 23448356
sodium ethyl methyl phosphate
CID 134607083
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
ethyl hydroxymethyl phosphate
CID 153073426
barium(2+);ethyl phosphate
CID 12691393
butylazanium;diethyl phosphate
CID 170458045
ethyl phosphate;N-methylmethanamine
CID 19985438
ethyl hexyl phosphate
CID 22057005
aluminum;triethyl phosphate;phosphate
CID 174993171
bis(4-methylpentyl) phosphate;chromium(3+);bis(diethyl phosphate)
CID 173454909
disodium bis(dioctadecyl phosphate)
CID 172826116

Frequently Asked Questions

What is the IUPAC name of disodium bis(diethyl phosphate)?
The IUPAC name of disodium bis(diethyl phosphate) (CID 57370561) is disodium bis(diethyl phosphate).
What is the SMILES notation for disodium bis(diethyl phosphate)?
The canonical SMILES for disodium bis(diethyl phosphate) is CCOP(=O)([O-])OCC.CCOP(=O)([O-])OCC.[Na+].[Na+].
What is the InChIKey of disodium bis(diethyl phosphate)?
The InChIKey is AJTDYEPARNIXBV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H11O4P.2Na/c2*1-3-7-9(5,6)8-4-2;;/h2*3-4H2,1-2H3,(H,5,6);;/q;;2*+1/p-2.
What are the key properties of disodium bis(diethyl phosphate)?
disodium bis(diethyl phosphate) has a molecular weight of 352.17 g/mol, XLogP of -4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(diethyl phosphate) is sourced from PubChem (CID 57370561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).