2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium

C2H6O4P+ — CID 89349688

IUPAC2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium
SMILESO[P+]1(O)OCCO1
InChIInChI=1S/C2H6O4P/c3-7(4)5-1-2-6-7/h3-4H,1-2H2/q+1
InChIKeyZTIOGFUPISLZSZ-UHFFFAOYSA-N
MW125.04 g/mol
LogP-0.30
Rot. Bonds

About 2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium

2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium (PubChem CID 89349688) has the molecular formula C2H6O4P+ and a molecular weight of 125.04 g/mol. Its IUPAC name is 2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium.

Molecular Properties

Compound Name2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium
PubChem CID89349688
Molecular FormulaC2H6O4P+
Molecular Weight125.04 g/mol
Exact Mass125.00
IUPAC Name2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium
SMILESO[P+]1(O)OCCO1
InChIInChI=1S/C2H6O4P/c3-7(4)5-1-2-6-7/h3-4H,1-2H2/q+1
InChIKeyZTIOGFUPISLZSZ-UHFFFAOYSA-N
XLogP-0.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.04
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium 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 2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium?
The IUPAC name of 2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium (CID 89349688) is 2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium.
What is the SMILES notation for 2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium?
The canonical SMILES for 2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium is O[P+]1(O)OCCO1.
What is the InChIKey of 2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium?
The InChIKey is ZTIOGFUPISLZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4P/c3-7(4)5-1-2-6-7/h3-4H,1-2H2/q+1.
What are the key properties of 2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium?
2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium has a molecular weight of 125.04 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-1,3,2-dioxaphospholan-2-ium is sourced from PubChem (CID 89349688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).