sodium oxido-oxo-propanoyloxyphosphanium

C3H5NaO4P+ — CID 146198101

IUPACsodium oxido-oxo-propanoyloxyphosphanium
SMILESCCC(=O)O[P+](=O)[O-].[Na+]
InChIInChI=1S/C3H5O4P.Na/c1-2-3(4)7-8(5)6;/h2H2,1H3;/q;+1
InChIKeyLVCBKFBDMJGMEM-UHFFFAOYSA-N
MW159.03 g/mol
LogP-3.04
Rot. Bonds2

About sodium oxido-oxo-propanoyloxyphosphanium

sodium oxido-oxo-propanoyloxyphosphanium (PubChem CID 146198101) has the molecular formula C3H5NaO4P+ and a molecular weight of 159.03 g/mol. Its IUPAC name is sodium oxido-oxo-propanoyloxyphosphanium.

Molecular Properties

Compound Namesodium oxido-oxo-propanoyloxyphosphanium
PubChem CID146198101
Molecular FormulaC3H5NaO4P+
Molecular Weight159.03 g/mol
Exact Mass158.98
IUPAC Namesodium oxido-oxo-propanoyloxyphosphanium
SMILESCCC(=O)O[P+](=O)[O-].[Na+]
InChIInChI=1S/C3H5O4P.Na/c1-2-3(4)7-8(5)6;/h2H2,1H3;/q;+1
InChIKeyLVCBKFBDMJGMEM-UHFFFAOYSA-N
XLogP-3.04
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.03
LogP ≤ 5-3.04
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 oxido-oxo-propanoyloxyphosphanium?
The IUPAC name of sodium oxido-oxo-propanoyloxyphosphanium (CID 146198101) is sodium oxido-oxo-propanoyloxyphosphanium.
What is the SMILES notation for sodium oxido-oxo-propanoyloxyphosphanium?
The canonical SMILES for sodium oxido-oxo-propanoyloxyphosphanium is CCC(=O)O[P+](=O)[O-].[Na+].
What is the InChIKey of sodium oxido-oxo-propanoyloxyphosphanium?
The InChIKey is LVCBKFBDMJGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O4P.Na/c1-2-3(4)7-8(5)6;/h2H2,1H3;/q;+1.
What are the key properties of sodium oxido-oxo-propanoyloxyphosphanium?
sodium oxido-oxo-propanoyloxyphosphanium has a molecular weight of 159.03 g/mol, XLogP of -3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-propanoyloxyphosphanium is sourced from PubChem (CID 146198101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).