sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate

C19H24NNaO3P2 — CID 23697612

IUPACsodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate
SMILESO=P([O-])(CCP(c1ccccc1)c1ccccc1)CN1CCOCC1.[Na+]
InChIInChI=1S/C19H25NO3P2.Na/c21-25(22,17-20-11-13-23-14-12-20)16-15-24(18-7-3-1-4-8-18)19-9-5-2-6-10-19;/h1-10H,11-17H2,(H,21,22);/q;+1/p-1
InChIKeyPEUQFTRWIWLNAK-UHFFFAOYSA-M
MW399.34 g/mol
LogP-0.95
Rot. Bonds7

About sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate

sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate (PubChem CID 23697612) has the molecular formula C19H24NNaO3P2 and a molecular weight of 399.34 g/mol. Its IUPAC name is sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate.

Molecular Properties

Compound Namesodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate
PubChem CID23697612
Molecular FormulaC19H24NNaO3P2
Molecular Weight399.34 g/mol
Exact Mass399.11
IUPAC Namesodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate
SMILESO=P([O-])(CCP(c1ccccc1)c1ccccc1)CN1CCOCC1.[Na+]
InChIInChI=1S/C19H25NO3P2.Na/c21-25(22,17-20-11-13-23-14-12-20)16-15-24(18-7-3-1-4-8-18)19-9-5-2-6-10-19;/h1-10H,11-17H2,(H,21,22);/q;+1/p-1
InChIKeyPEUQFTRWIWLNAK-UHFFFAOYSA-M
XLogP-0.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate?
The IUPAC name of sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate (CID 23697612) is sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate.
What is the SMILES notation for sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate?
The canonical SMILES for sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate is O=P([O-])(CCP(c1ccccc1)c1ccccc1)CN1CCOCC1.[Na+].
What is the InChIKey of sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate?
The InChIKey is PEUQFTRWIWLNAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H25NO3P2.Na/c21-25(22,17-20-11-13-23-14-12-20)16-15-24(18-7-3-1-4-8-18)19-9-5-2-6-10-19;/h1-10H,11-17H2,(H,21,22);/q;+1/p-1.
What are the key properties of sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate?
sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate has a molecular weight of 399.34 g/mol, XLogP of -0.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-diphenylphosphanylethyl(morpholin-4-ylmethyl)phosphinate is sourced from PubChem (CID 23697612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).