bis(2-hydroxyethyl)azanium;dihydrogen phosphate

C4H14NO6P — CID 57376871

IUPACbis(2-hydroxyethyl)azanium;dihydrogen phosphate
SMILESO=P([O-])(O)O.OCC[NH2+]CCO
InChIInChI=1S/C4H11NO2.H3O4P/c6-3-1-5-2-4-7;1-5(2,3)4/h5-7H,1-4H2;(H3,1,2,3,4)
InChIKeyYXJUEYDETJCBKA-UHFFFAOYSA-N
MW203.13 g/mol
LogP-4.03
Rot. Bonds4

About bis(2-hydroxyethyl)azanium;dihydrogen phosphate

bis(2-hydroxyethyl)azanium;dihydrogen phosphate (PubChem CID 57376871) has the molecular formula C4H14NO6P and a molecular weight of 203.13 g/mol. Its IUPAC name is bis(2-hydroxyethyl)azanium;dihydrogen phosphate.

Molecular Properties

Compound Namebis(2-hydroxyethyl)azanium;dihydrogen phosphate
PubChem CID57376871
Molecular FormulaC4H14NO6P
Molecular Weight203.13 g/mol
Exact Mass203.06
IUPAC Namebis(2-hydroxyethyl)azanium;dihydrogen phosphate
SMILESO=P([O-])(O)O.OCC[NH2+]CCO
InChIInChI=1S/C4H11NO2.H3O4P/c6-3-1-5-2-4-7;1-5(2,3)4/h5-7H,1-4H2;(H3,1,2,3,4)
InChIKeyYXJUEYDETJCBKA-UHFFFAOYSA-N
XLogP-4.03
TPSA137.66 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 5-4.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

azanium bis(2-hydroxyethyl)azanium
CID 18521410
bis(2-hydroxyethyl)azanium;bromide;chloride
CID 87517996
bis(2-hydroxyethyl)azanium;hexadecyl hydrogen phosphate
CID 164511657
bis(bis(2-hydroxyethyl)azanium);butanedioate
CID 87299345
potassium;dihydrogen phosphate;ethanol
CID 160928957
hexakis(dihydrogen phosphate);molybdenum
CID 18504359
sodium dihydroxy(32P)phosphinate
CID 23694678
tetrakis(dihydrogen phosphate);zirconium(4+)
CID 22328152
tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
CID 139063709
zinc bis(dihydrogen phosphate)
CID 11253952
dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
tris(2-hydroxyethylphosphanium);phosphate
CID 159553756

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)azanium;dihydrogen phosphate?
The IUPAC name of bis(2-hydroxyethyl)azanium;dihydrogen phosphate (CID 57376871) is bis(2-hydroxyethyl)azanium;dihydrogen phosphate.
What is the SMILES notation for bis(2-hydroxyethyl)azanium;dihydrogen phosphate?
The canonical SMILES for bis(2-hydroxyethyl)azanium;dihydrogen phosphate is O=P([O-])(O)O.OCC[NH2+]CCO.
What is the InChIKey of bis(2-hydroxyethyl)azanium;dihydrogen phosphate?
The InChIKey is YXJUEYDETJCBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.H3O4P/c6-3-1-5-2-4-7;1-5(2,3)4/h5-7H,1-4H2;(H3,1,2,3,4).
What are the key properties of bis(2-hydroxyethyl)azanium;dihydrogen phosphate?
bis(2-hydroxyethyl)azanium;dihydrogen phosphate has a molecular weight of 203.13 g/mol, XLogP of -4.03, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)azanium;dihydrogen phosphate is sourced from PubChem (CID 57376871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).