2-azaniumylethyl hydrogen phosphate

C2H8NO4P — CID 5232324

IUPAC2-azaniumylethyl hydrogen phosphate
SMILES[NH3+]CCOP(=O)([O-])O
InChIInChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKeySUHOOTKUPISOBE-UHFFFAOYSA-N
MW141.06 g/mol
LogP-2.29
Rot. Bonds3

About 2-azaniumylethyl hydrogen phosphate

2-azaniumylethyl hydrogen phosphate (PubChem CID 5232324) has the molecular formula C2H8NO4P and a molecular weight of 141.06 g/mol. Its IUPAC name is 2-azaniumylethyl hydrogen phosphate.

Molecular Properties

Compound Name2-azaniumylethyl hydrogen phosphate
PubChem CID5232324
Molecular FormulaC2H8NO4P
Molecular Weight141.06 g/mol
Exact Mass141.02
IUPAC Name2-azaniumylethyl hydrogen phosphate
SMILES[NH3+]CCOP(=O)([O-])O
InChIInChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKeySUHOOTKUPISOBE-UHFFFAOYSA-N
XLogP-2.29
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.06
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 90410935
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potassium;hexadecyl hydrogen phosphate;phosphoric acid
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[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl] hydrogen phosphate
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2-azaniumylethylazanium phosphate
CID 139598254
2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 21121356
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 21116399
hydroxymethyl hydrogen phosphate;methane;propane
CID 159004850
methylidyneazaniumylmethyl hydrogen phosphate
CID 22094135
propane-1,2,3-triol;propan-2-one;2-(trimethylazaniumyl)ethyl hydrogen phosphate
CID 174901552
sodium;ethane-1,1,1,2,2,2-hexol;tridecyl hydrogen phosphate
CID 175201146
4-[hydroxy-(2-hydroxyacetyl)amino]butyl hydrogen phosphate
CID 91930183

Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethyl hydrogen phosphate?
The IUPAC name of 2-azaniumylethyl hydrogen phosphate (CID 5232324) is 2-azaniumylethyl hydrogen phosphate.
What is the SMILES notation for 2-azaniumylethyl hydrogen phosphate?
The canonical SMILES for 2-azaniumylethyl hydrogen phosphate is [NH3+]CCOP(=O)([O-])O.
What is the InChIKey of 2-azaniumylethyl hydrogen phosphate?
The InChIKey is SUHOOTKUPISOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6).
What are the key properties of 2-azaniumylethyl hydrogen phosphate?
2-azaniumylethyl hydrogen phosphate has a molecular weight of 141.06 g/mol, XLogP of -2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethyl hydrogen phosphate is sourced from PubChem (CID 5232324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).