ethyl hydrogen phosphate

C2H6O4P- — CID 19068805

IUPACethyl hydrogen phosphate
SMILESCCOP(=O)([O-])O
InChIInChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)/p-1
InChIKeyZJXZSIYSNXKHEA-UHFFFAOYSA-M
MW125.04 g/mol
LogP-0.52
Rot. Bonds2

About ethyl hydrogen phosphate

ethyl hydrogen phosphate (PubChem CID 19068805) has the molecular formula C2H6O4P- and a molecular weight of 125.04 g/mol. Its IUPAC name is ethyl hydrogen phosphate.

Molecular Properties

Compound Nameethyl hydrogen phosphate
PubChem CID19068805
Molecular FormulaC2H6O4P-
Molecular Weight125.04 g/mol
Exact Mass125.00
IUPAC Nameethyl hydrogen phosphate
SMILESCCOP(=O)([O-])O
InChIInChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)/p-1
InChIKeyZJXZSIYSNXKHEA-UHFFFAOYSA-M
XLogP-0.52
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.04
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen phosphate?
The IUPAC name of ethyl hydrogen phosphate (CID 19068805) is ethyl hydrogen phosphate.
What is the SMILES notation for ethyl hydrogen phosphate?
The canonical SMILES for ethyl hydrogen phosphate is CCOP(=O)([O-])O.
What is the InChIKey of ethyl hydrogen phosphate?
The InChIKey is ZJXZSIYSNXKHEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)/p-1.
What are the key properties of ethyl hydrogen phosphate?
ethyl hydrogen phosphate has a molecular weight of 125.04 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydrogen phosphate is sourced from PubChem (CID 19068805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).