disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride

C6H16NNa2O4P — CID 173171688

IUPACdisodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride
SMILESCCN(CC)C(=O)CP(=O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H14NO4P.2Na.2H/c1-3-7(4-2)6(8)5-12(9,10)11;;;;/h3-5H2,1-2H3,(H2,9,10,11);;;;/q;2*+1;2*-1
InChIKeyMUBSCRUWQAULFQ-UHFFFAOYSA-N
MW243.15 g/mol
LogP-5.73
Rot. Bonds4

About disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride

disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride (PubChem CID 173171688) has the molecular formula C6H16NNa2O4P and a molecular weight of 243.15 g/mol. Its IUPAC name is disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride.

Molecular Properties

Compound Namedisodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride
PubChem CID173171688
Molecular FormulaC6H16NNa2O4P
Molecular Weight243.15 g/mol
Exact Mass243.06
IUPAC Namedisodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride
SMILESCCN(CC)C(=O)CP(=O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H14NO4P.2Na.2H/c1-3-7(4-2)6(8)5-12(9,10)11;;;;/h3-5H2,1-2H3,(H2,9,10,11);;;;/q;2*+1;2*-1
InChIKeyMUBSCRUWQAULFQ-UHFFFAOYSA-N
XLogP-5.73
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 5-5.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride?
The IUPAC name of disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride (CID 173171688) is disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride.
What is the SMILES notation for disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride?
The canonical SMILES for disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride is CCN(CC)C(=O)CP(=O)(O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride?
The InChIKey is MUBSCRUWQAULFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4P.2Na.2H/c1-3-7(4-2)6(8)5-12(9,10)11;;;;/h3-5H2,1-2H3,(H2,9,10,11);;;;/q;2*+1;2*-1.
What are the key properties of disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride?
disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride has a molecular weight of 243.15 g/mol, XLogP of -5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride is sourced from PubChem (CID 173171688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).