sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid

C5H21NNaO9P2+ — CID 174491788

IUPACsodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid
SMILESC[N+](C)(C)CCO.O=P(O)(O)O.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C5H14NO.Na.2H3O4P.H/c1-6(2,3)4-5-7;;2*1-5(2,3)4;/h7H,4-5H2,1-3H3;;2*(H3,1,2,3,4);/q2*+1;;;-1
InChIKeyLZCCLSLSYROQEY-UHFFFAOYSA-N
MW324.16 g/mol
LogP-5.06
Rot. Bonds2

About sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid

sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid (PubChem CID 174491788) has the molecular formula C5H21NNaO9P2+ and a molecular weight of 324.16 g/mol. Its IUPAC name is sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid.

Molecular Properties

Compound Namesodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid
PubChem CID174491788
Molecular FormulaC5H21NNaO9P2+
Molecular Weight324.16 g/mol
Exact Mass324.06
IUPAC Namesodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid
SMILESC[N+](C)(C)CCO.O=P(O)(O)O.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C5H14NO.Na.2H3O4P.H/c1-6(2,3)4-5-7;;2*1-5(2,3)4;/h7H,4-5H2,1-3H3;;2*(H3,1,2,3,4);/q2*+1;;;-1
InChIKeyLZCCLSLSYROQEY-UHFFFAOYSA-N
XLogP-5.06
TPSA175.75 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.16
LogP ≤ 5-5.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

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

hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate
CID 22266794
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
CID 57350182
calcium;2-hydroxyethyl(trimethyl)azanium;phosphate;hydrochloride
CID 173268854
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
calcium;hydride;2-hydroxyethyl(trimethyl)azanium;trimethyl(2-phosphonooxyethyl)azanium;hydrochloride
CID 174999238
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid?
The IUPAC name of sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid (CID 174491788) is sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid.
What is the SMILES notation for sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid?
The canonical SMILES for sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid is C[N+](C)(C)CCO.O=P(O)(O)O.O=P(O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid?
The InChIKey is LZCCLSLSYROQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.Na.2H3O4P.H/c1-6(2,3)4-5-7;;2*1-5(2,3)4;/h7H,4-5H2,1-3H3;;2*(H3,1,2,3,4);/q2*+1;;;-1.
What are the key properties of sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid?
sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid has a molecular weight of 324.16 g/mol, XLogP of -5.06, 2 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid is sourced from PubChem (CID 174491788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).