dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol

C6H16O5P+ — CID 121482174

IUPACdihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol
SMILESCC(C)(O)C(C)(C)O.O=[P+](O)O
InChIInChI=1S/C6H14O2.HO3P/c1-5(2,7)6(3,4)8;1-4(2)3/h7-8H,1-4H3;(H-,1,2,3)/p+1
InChIKeyCWQSSLYQXILEJA-UHFFFAOYSA-O
MW199.16 g/mol
LogP0.16
Rot. Bonds1

About dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol

dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol (PubChem CID 121482174) has the molecular formula C6H16O5P+ and a molecular weight of 199.16 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol
PubChem CID121482174
Molecular FormulaC6H16O5P+
Molecular Weight199.16 g/mol
Exact Mass199.07
IUPAC Namedihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol
SMILESCC(C)(O)C(C)(C)O.O=[P+](O)O
InChIInChI=1S/C6H14O2.HO3P/c1-5(2,7)6(3,4)8;1-4(2)3/h7-8H,1-4H3;(H-,1,2,3)/p+1
InChIKeyCWQSSLYQXILEJA-UHFFFAOYSA-O
XLogP0.16
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol 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 dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol?
The IUPAC name of dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol (CID 121482174) is dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol.
What is the SMILES notation for dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol?
The canonical SMILES for dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol is CC(C)(O)C(C)(C)O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol?
The InChIKey is CWQSSLYQXILEJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14O2.HO3P/c1-5(2,7)6(3,4)8;1-4(2)3/h7-8H,1-4H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol?
dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol has a molecular weight of 199.16 g/mol, XLogP of 0.16, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;2,3-dimethylbutane-2,3-diol is sourced from PubChem (CID 121482174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).