[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid

C5H12O5PSe- — CID 22392374

IUPAC[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid
SMILESCC(CO)(CO)COP(=O)(O)[Se-]
InChIInChI=1S/C5H13O5PSe/c1-5(2-6,3-7)4-10-11(8,9)12/h6-7H,2-4H2,1H3,(H2,8,9,12)/p-1
InChIKeyOCXSANIEFIABON-UHFFFAOYSA-M
MW262.08 g/mol
LogP-0.74
Rot. Bonds5

About [3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid

[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid (PubChem CID 22392374) has the molecular formula C5H12O5PSe- and a molecular weight of 262.08 g/mol. Its IUPAC name is [3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid.

Molecular Properties

Compound Name[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid
PubChem CID22392374
Molecular FormulaC5H12O5PSe-
Molecular Weight262.08 g/mol
Exact Mass262.96
IUPAC Name[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid
SMILESCC(CO)(CO)COP(=O)(O)[Se-]
InChIInChI=1S/C5H13O5PSe/c1-5(2-6,3-7)4-10-11(8,9)12/h6-7H,2-4H2,1H3,(H2,8,9,12)/p-1
InChIKeyOCXSANIEFIABON-UHFFFAOYSA-M
XLogP-0.74
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid?
The IUPAC name of [3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid (CID 22392374) is [3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid.
What is the SMILES notation for [3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid?
The canonical SMILES for [3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid is CC(CO)(CO)COP(=O)(O)[Se-].
What is the InChIKey of [3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid?
The InChIKey is OCXSANIEFIABON-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13O5PSe/c1-5(2-6,3-7)4-10-11(8,9)12/h6-7H,2-4H2,1H3,(H2,8,9,12)/p-1.
What are the key properties of [3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid?
[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid has a molecular weight of 262.08 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid is sourced from PubChem (CID 22392374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).