sodium 2-ethoxyethyl phosphate

C4H9NaO5P- — CID 139597529

IUPACsodium 2-ethoxyethyl phosphate
SMILESCCOCCOP(=O)([O-])[O-].[Na+]
InChIInChI=1S/C4H11O5P.Na/c1-2-8-3-4-9-10(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1/p-2
InChIKeyVSHJVKIEVDVXEA-UHFFFAOYSA-L
MW191.07 g/mol
LogP-4.13
Rot. Bonds5

About sodium 2-ethoxyethyl phosphate

sodium 2-ethoxyethyl phosphate (PubChem CID 139597529) has the molecular formula C4H9NaO5P- and a molecular weight of 191.07 g/mol. Its IUPAC name is sodium 2-ethoxyethyl phosphate.

Molecular Properties

Compound Namesodium 2-ethoxyethyl phosphate
PubChem CID139597529
Molecular FormulaC4H9NaO5P-
Molecular Weight191.07 g/mol
Exact Mass191.01
IUPAC Namesodium 2-ethoxyethyl phosphate
SMILESCCOCCOP(=O)([O-])[O-].[Na+]
InChIInChI=1S/C4H11O5P.Na/c1-2-8-3-4-9-10(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1/p-2
InChIKeyVSHJVKIEVDVXEA-UHFFFAOYSA-L
XLogP-4.13
TPSA81.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 5-4.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phosphonatooxyethyl phosphate
CID 22721325
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
1-dichlorophosphoryloxy-2-ethoxyethane
CID 12585942
2-ethoxyethyl diethyl phosphate
CID 3052884
barium(2+);ethyl phosphate
CID 12691393
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
sodium;1,2-diethoxyethane;hydride
CID 174903036
butyl phosphate;titanium(2+)
CID 141032733
ethyl phosphate;N-methylmethanamine
CID 19985438
1,2-diethoxyethane;hydrofluoride
CID 175535770
bis(butan-2-ylazanium);2-hexoxyethyl phosphate
CID 71432212

Frequently Asked Questions

What is the IUPAC name of sodium 2-ethoxyethyl phosphate?
The IUPAC name of sodium 2-ethoxyethyl phosphate (CID 139597529) is sodium 2-ethoxyethyl phosphate.
What is the SMILES notation for sodium 2-ethoxyethyl phosphate?
The canonical SMILES for sodium 2-ethoxyethyl phosphate is CCOCCOP(=O)([O-])[O-].[Na+].
What is the InChIKey of sodium 2-ethoxyethyl phosphate?
The InChIKey is VSHJVKIEVDVXEA-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11O5P.Na/c1-2-8-3-4-9-10(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1/p-2.
What are the key properties of sodium 2-ethoxyethyl phosphate?
sodium 2-ethoxyethyl phosphate has a molecular weight of 191.07 g/mol, XLogP of -4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-ethoxyethyl phosphate is sourced from PubChem (CID 139597529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).