sodium ethyl hydrogen phosphate

C2H6NaO4P — CID 23390482

IUPACsodium ethyl hydrogen phosphate
SMILESCCOP(=O)([O-])O.[Na+]
InChIInChI=1S/C2H7O4P.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H2,3,4,5);/q;+1/p-1
InChIKeyRLDJXCABWJNFSN-UHFFFAOYSA-M
MW148.03 g/mol
LogP-3.51
Rot. Bonds2

About sodium ethyl hydrogen phosphate

sodium ethyl hydrogen phosphate (PubChem CID 23390482) has the molecular formula C2H6NaO4P and a molecular weight of 148.03 g/mol. Its IUPAC name is sodium ethyl hydrogen phosphate.

Molecular Properties

Compound Namesodium ethyl hydrogen phosphate
PubChem CID23390482
Molecular FormulaC2H6NaO4P
Molecular Weight148.03 g/mol
Exact Mass147.99
IUPAC Namesodium ethyl hydrogen phosphate
SMILESCCOP(=O)([O-])O.[Na+]
InChIInChI=1S/C2H7O4P.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H2,3,4,5);/q;+1/p-1
InChIKeyRLDJXCABWJNFSN-UHFFFAOYSA-M
XLogP-3.51
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.03
LogP ≤ 5-3.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl phosphate
CID 654
Phosphoric acid, monopropyl ester
CID 74188
Monoethyl phosphate
CID 74190
Ethyl phosphate(2-)
CID 12691392
Phosphoric acid, diethyl ester, sodium salt (1:1)
CID 23668382
Ethyl dihydrogen diphosphate
CID 448674
Fosetyl
CID 6328134
Fosetyl sodium
CID 23669110
Ethoxy(methoxy)phosphinic acid
CID 13319001
Phosphoethanol
CID 6857927
[Ethoxy(oxido)phosphoryl] phosphate
CID 72200172
O-methyl methylchloro-phosphonate
CID 14957583

Frequently Asked Questions

What is the IUPAC name of sodium ethyl hydrogen phosphate?
The IUPAC name of sodium ethyl hydrogen phosphate (CID 23390482) is sodium ethyl hydrogen phosphate.
What is the SMILES notation for sodium ethyl hydrogen phosphate?
The canonical SMILES for sodium ethyl hydrogen phosphate is CCOP(=O)([O-])O.[Na+].
What is the InChIKey of sodium ethyl hydrogen phosphate?
The InChIKey is RLDJXCABWJNFSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7O4P.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H2,3,4,5);/q;+1/p-1.
What are the key properties of sodium ethyl hydrogen phosphate?
sodium ethyl hydrogen phosphate has a molecular weight of 148.03 g/mol, XLogP of -3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethyl hydrogen phosphate is sourced from PubChem (CID 23390482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).