disodium;ethyl phosphate

C2H5Na2O4P — CID 11970393

IUPACdisodium;ethyl phosphate
SMILESCCOP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C2H7O4P.2Na/c1-2-6-7(3,4)5;;/h2H2,1H3,(H2,3,4,5);;/q;2*+1/p-2
InChIKeyANLFRXGAWNYDEJ-UHFFFAOYSA-L
MW170.01 g/mol
LogP-7.14
Rot. Bonds2

About disodium;ethyl phosphate

disodium;ethyl phosphate (PubChem CID 11970393) has the molecular formula C2H5Na2O4P and a molecular weight of 170.01 g/mol. Its IUPAC name is disodium;ethyl phosphate.

Molecular Properties

Compound Namedisodium;ethyl phosphate
PubChem CID11970393
Molecular FormulaC2H5Na2O4P
Molecular Weight170.01 g/mol
Exact Mass169.97
IUPAC Namedisodium;ethyl phosphate
SMILESCCOP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C2H7O4P.2Na/c1-2-6-7(3,4)5;;/h2H2,1H3,(H2,3,4,5);;/q;2*+1/p-2
InChIKeyANLFRXGAWNYDEJ-UHFFFAOYSA-L
XLogP-7.14
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.01
LogP ≤ 5-7.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium ethyl phosphate
CID 141178132
barium(2+);ethyl phosphate
CID 12691393
ethyl phosphate;N-methylmethanamine
CID 19985438
disodium bis(diethyl phosphate)
CID 57370561
copper bis(diethyl phosphate)
CID 23448356
sodium ethyl methyl phosphate
CID 134607083
aluminum;triethyl phosphate;phosphate
CID 174993171
sodium 2-ethoxyethyl phosphate
CID 139597529
2-phosphonatooxyethyl phosphate
CID 22721325
disodium carboxymethyl(ethoxy)phosphinate
CID 158502512
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
ethyl hydroxymethyl phosphate
CID 153073426

Frequently Asked Questions

What is the IUPAC name of disodium;ethyl phosphate?
The IUPAC name of disodium;ethyl phosphate (CID 11970393) is disodium;ethyl phosphate.
What is the SMILES notation for disodium;ethyl phosphate?
The canonical SMILES for disodium;ethyl phosphate is CCOP(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;ethyl phosphate?
The InChIKey is ANLFRXGAWNYDEJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H7O4P.2Na/c1-2-6-7(3,4)5;;/h2H2,1H3,(H2,3,4,5);;/q;2*+1/p-2.
What are the key properties of disodium;ethyl phosphate?
disodium;ethyl phosphate has a molecular weight of 170.01 g/mol, XLogP of -7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethyl phosphate is sourced from PubChem (CID 11970393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).