hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate

C5H19NO7P- — CID 22266794

IUPAChydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate
SMILESC[N+](C)(C)CCO.O.O.O=P([O-])([O-])O
InChIInChI=1S/C5H14NO.H3O4P.2H2O/c1-6(2,3)4-5-7;1-5(2,3)4;;/h7H,4-5H2,1-3H3;(H3,1,2,3,4);2*1H2/q+1;;;/p-2
InChIKeyPWDDPQXMOFCKIU-UHFFFAOYSA-L
MW236.18 g/mol
LogP-4.16
Rot. Bonds2

About hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate

hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate (PubChem CID 22266794) has the molecular formula C5H19NO7P- and a molecular weight of 236.18 g/mol. Its IUPAC name is hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate.

Molecular Properties

Compound Namehydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate
PubChem CID22266794
Molecular FormulaC5H19NO7P-
Molecular Weight236.18 g/mol
Exact Mass236.09
IUPAC Namehydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate
SMILESC[N+](C)(C)CCO.O.O.O=P([O-])([O-])O
InChIInChI=1S/C5H14NO.H3O4P.2H2O/c1-6(2,3)4-5-7;1-5(2,3)4;;/h7H,4-5H2,1-3H3;(H3,1,2,3,4);2*1H2/q+1;;;/p-2
InChIKeyPWDDPQXMOFCKIU-UHFFFAOYSA-L
XLogP-4.16
TPSA166.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 5-4.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
CID 57350182
calcium;2-hydroxyethyl(trimethyl)azanium;phosphate;hydrochloride
CID 173268854
sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid
CID 174491788
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
bis(2-hydroxyethyl(trimethyl)azanium);selenate
CID 86566768
bis(2-hydroxyethyl(trimethyl)azanium);sulfite
CID 87093704

Frequently Asked Questions

What is the IUPAC name of hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate?
The IUPAC name of hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate (CID 22266794) is hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate.
What is the SMILES notation for hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate?
The canonical SMILES for hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate is C[N+](C)(C)CCO.O.O.O=P([O-])([O-])O.
What is the InChIKey of hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate?
The InChIKey is PWDDPQXMOFCKIU-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H14NO.H3O4P.2H2O/c1-6(2,3)4-5-7;1-5(2,3)4;;/h7H,4-5H2,1-3H3;(H3,1,2,3,4);2*1H2/q+1;;;/p-2.
What are the key properties of hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate?
hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate has a molecular weight of 236.18 g/mol, XLogP of -4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate is sourced from PubChem (CID 22266794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).