dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate)

C9H16K2O7-2 — CID 140581629

IUPACdipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate)
SMILES[K+].[K+].[O-]CC(O)C[O-].[O-]CC1CO1.[O-]CC1CO1
InChIInChI=1S/C3H6O3.2C3H5O2.2K/c4-1-3(6)2-5;2*4-1-3-2-5-3;;/h3,6H,1-2H2;2*3H,1-2H2;;/q-2;2*-1;2*+1
InChIKeyDQQJQRBRGRWDAU-UHFFFAOYSA-N
MW314.42 g/mol
LogP-11.43
Rot. Bonds4

About dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate)

dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate) (PubChem CID 140581629) has the molecular formula C9H16K2O7-2 and a molecular weight of 314.42 g/mol. Its IUPAC name is dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate).

Molecular Properties

Compound Namedipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate)
PubChem CID140581629
Molecular FormulaC9H16K2O7-2
Molecular Weight314.42 g/mol
Exact Mass314.02
IUPAC Namedipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate)
SMILES[K+].[K+].[O-]CC(O)C[O-].[O-]CC1CO1.[O-]CC1CO1
InChIInChI=1S/C3H6O3.2C3H5O2.2K/c4-1-3(6)2-5;2*4-1-3-2-5-3;;/h3,6H,1-2H2;2*3H,1-2H2;;/q-2;2*-1;2*+1
InChIKeyDQQJQRBRGRWDAU-UHFFFAOYSA-N
XLogP-11.43
TPSA137.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 5-11.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate) 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 dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate)?
The IUPAC name of dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate) (CID 140581629) is dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate).
What is the SMILES notation for dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate)?
The canonical SMILES for dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate) is [K+].[K+].[O-]CC(O)C[O-].[O-]CC1CO1.[O-]CC1CO1.
What is the InChIKey of dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate)?
The InChIKey is DQQJQRBRGRWDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.2C3H5O2.2K/c4-1-3(6)2-5;2*4-1-3-2-5-3;;/h3,6H,1-2H2;2*3H,1-2H2;;/q-2;2*-1;2*+1.
What are the key properties of dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate)?
dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate) has a molecular weight of 314.42 g/mol, XLogP of -11.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-hydroxypropane-1,3-diolate;bis(oxiran-2-ylmethanolate) is sourced from PubChem (CID 140581629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).