ethyl hydroxymethyl phosphate

C3H8O5P- — CID 153073426

IUPACethyl hydroxymethyl phosphate
SMILESCCOP(=O)([O-])OCO
InChIInChI=1S/C3H9O5P/c1-2-7-9(5,6)8-3-4/h4H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyVLUQWTGRHMAGLT-UHFFFAOYSA-M
MW155.07 g/mol
LogP-0.54
Rot. Bonds4

About ethyl hydroxymethyl phosphate

ethyl hydroxymethyl phosphate (PubChem CID 153073426) has the molecular formula C3H8O5P- and a molecular weight of 155.07 g/mol. Its IUPAC name is ethyl hydroxymethyl phosphate.

Molecular Properties

Compound Nameethyl hydroxymethyl phosphate
PubChem CID153073426
Molecular FormulaC3H8O5P-
Molecular Weight155.07 g/mol
Exact Mass155.01
IUPAC Nameethyl hydroxymethyl phosphate
SMILESCCOP(=O)([O-])OCO
InChIInChI=1S/C3H9O5P/c1-2-7-9(5,6)8-3-4/h4H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyVLUQWTGRHMAGLT-UHFFFAOYSA-M
XLogP-0.54
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

disodium bis(diethyl phosphate)
CID 57370561
copper bis(diethyl phosphate)
CID 23448356
sodium ethyl methyl phosphate
CID 134607083
bis[[hydroxymethoxy(oxido)phosphoryl]oxy]methyl hydroxymethyl phosphate
CID 159972086
hydroxymethyl hydrogen phosphate;methane;propane
CID 159004850
butylazanium;diethyl phosphate
CID 170458045
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
ethyl hexyl phosphate
CID 22057005
barium(2+);ethyl phosphate
CID 12691393
aluminum;triethyl phosphate;phosphate
CID 174993171
bis(4-methylpentyl) phosphate;chromium(3+);bis(diethyl phosphate)
CID 173454909

Frequently Asked Questions

What is the IUPAC name of ethyl hydroxymethyl phosphate?
The IUPAC name of ethyl hydroxymethyl phosphate (CID 153073426) is ethyl hydroxymethyl phosphate.
What is the SMILES notation for ethyl hydroxymethyl phosphate?
The canonical SMILES for ethyl hydroxymethyl phosphate is CCOP(=O)([O-])OCO.
What is the InChIKey of ethyl hydroxymethyl phosphate?
The InChIKey is VLUQWTGRHMAGLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9O5P/c1-2-7-9(5,6)8-3-4/h4H,2-3H2,1H3,(H,5,6)/p-1.
What are the key properties of ethyl hydroxymethyl phosphate?
ethyl hydroxymethyl phosphate has a molecular weight of 155.07 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydroxymethyl phosphate is sourced from PubChem (CID 153073426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).