bis(2-hydroxyethyl) hydrogen phosphate

C4H11O6P — CID 19802240

IUPACbis(2-hydroxyethyl) hydrogen phosphate
SMILESO=P(O)(OCCO)OCCO
InChIInChI=1S/C4H11O6P/c5-1-3-9-11(7,8)10-4-2-6/h5-6H,1-4H2,(H,7,8)
InChIKeyJUZVWHAYFZNKCC-UHFFFAOYSA-N
MW186.10 g/mol
LogP-0.90
Rot. Bonds6

About bis(2-hydroxyethyl) hydrogen phosphate

bis(2-hydroxyethyl) hydrogen phosphate (PubChem CID 19802240) has the molecular formula C4H11O6P and a molecular weight of 186.10 g/mol. Its IUPAC name is bis(2-hydroxyethyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-hydroxyethyl) hydrogen phosphate
PubChem CID19802240
Molecular FormulaC4H11O6P
Molecular Weight186.10 g/mol
Exact Mass186.03
IUPAC Namebis(2-hydroxyethyl) hydrogen phosphate
SMILESO=P(O)(OCCO)OCCO
InChIInChI=1S/C4H11O6P/c5-1-3-9-11(7,8)10-4-2-6/h5-6H,1-4H2,(H,7,8)
InChIKeyJUZVWHAYFZNKCC-UHFFFAOYSA-N
XLogP-0.90
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl) hydrogen phosphate?
The IUPAC name of bis(2-hydroxyethyl) hydrogen phosphate (CID 19802240) is bis(2-hydroxyethyl) hydrogen phosphate.
What is the SMILES notation for bis(2-hydroxyethyl) hydrogen phosphate?
The canonical SMILES for bis(2-hydroxyethyl) hydrogen phosphate is O=P(O)(OCCO)OCCO.
What is the InChIKey of bis(2-hydroxyethyl) hydrogen phosphate?
The InChIKey is JUZVWHAYFZNKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O6P/c5-1-3-9-11(7,8)10-4-2-6/h5-6H,1-4H2,(H,7,8).
What are the key properties of bis(2-hydroxyethyl) hydrogen phosphate?
bis(2-hydroxyethyl) hydrogen phosphate has a molecular weight of 186.10 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl) hydrogen phosphate is sourced from PubChem (CID 19802240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).