(2-oxooxaphospholan-2-ium-5-yl)phosphonic acid

C3H7O5P2+ — CID 172800957

IUPAC(2-oxooxaphospholan-2-ium-5-yl)phosphonic acid
SMILESO=[P+]1CCC(P(=O)(O)O)O1
InChIInChI=1S/C3H6O5P2/c4-9-2-1-3(8-9)10(5,6)7/h3H,1-2H2,(H-,5,6,7)/p+1
InChIKeyJRJKJNZCUFIJOX-UHFFFAOYSA-O
MW185.03 g/mol
LogP0.65
Rot. Bonds1

About (2-oxooxaphospholan-2-ium-5-yl)phosphonic acid

(2-oxooxaphospholan-2-ium-5-yl)phosphonic acid (PubChem CID 172800957) has the molecular formula C3H7O5P2+ and a molecular weight of 185.03 g/mol. Its IUPAC name is (2-oxooxaphospholan-2-ium-5-yl)phosphonic acid.

Molecular Properties

Compound Name(2-oxooxaphospholan-2-ium-5-yl)phosphonic acid
PubChem CID172800957
Molecular FormulaC3H7O5P2+
Molecular Weight185.03 g/mol
Exact Mass184.98
IUPAC Name(2-oxooxaphospholan-2-ium-5-yl)phosphonic acid
SMILESO=[P+]1CCC(P(=O)(O)O)O1
InChIInChI=1S/C3H6O5P2/c4-9-2-1-3(8-9)10(5,6)7/h3H,1-2H2,(H-,5,6,7)/p+1
InChIKeyJRJKJNZCUFIJOX-UHFFFAOYSA-O
XLogP0.65
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.03
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxaphospholan-2-ium-5-yl)phosphonic acid?
The IUPAC name of (2-oxooxaphospholan-2-ium-5-yl)phosphonic acid (CID 172800957) is (2-oxooxaphospholan-2-ium-5-yl)phosphonic acid.
What is the SMILES notation for (2-oxooxaphospholan-2-ium-5-yl)phosphonic acid?
The canonical SMILES for (2-oxooxaphospholan-2-ium-5-yl)phosphonic acid is O=[P+]1CCC(P(=O)(O)O)O1.
What is the InChIKey of (2-oxooxaphospholan-2-ium-5-yl)phosphonic acid?
The InChIKey is JRJKJNZCUFIJOX-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6O5P2/c4-9-2-1-3(8-9)10(5,6)7/h3H,1-2H2,(H-,5,6,7)/p+1.
What are the key properties of (2-oxooxaphospholan-2-ium-5-yl)phosphonic acid?
(2-oxooxaphospholan-2-ium-5-yl)phosphonic acid has a molecular weight of 185.03 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxaphospholan-2-ium-5-yl)phosphonic acid is sourced from PubChem (CID 172800957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).