trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium

C3H8O6P+ — CID 88558856

IUPACtrihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium
SMILESO=C(CO)CO[P+](O)(O)O
InChIInChI=1S/C3H8O6P/c4-1-3(5)2-9-10(6,7)8/h4,6-8H,1-2H2/q+1
InChIKeyZUKSJXWHAPJCMX-UHFFFAOYSA-N
MW171.06 g/mol
LogP-1.78
Rot. Bonds4

About trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium

trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium (PubChem CID 88558856) has the molecular formula C3H8O6P+ and a molecular weight of 171.06 g/mol. Its IUPAC name is trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium
PubChem CID88558856
Molecular FormulaC3H8O6P+
Molecular Weight171.06 g/mol
Exact Mass171.01
IUPAC Nametrihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium
SMILESO=C(CO)CO[P+](O)(O)O
InChIInChI=1S/C3H8O6P/c4-1-3(5)2-9-10(6,7)8/h4,6-8H,1-2H2/q+1
InChIKeyZUKSJXWHAPJCMX-UHFFFAOYSA-N
XLogP-1.78
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.06
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium 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 trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium?
The IUPAC name of trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium (CID 88558856) is trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium.
What is the SMILES notation for trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium?
The canonical SMILES for trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium is O=C(CO)CO[P+](O)(O)O.
What is the InChIKey of trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium?
The InChIKey is ZUKSJXWHAPJCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O6P/c4-1-3(5)2-9-10(6,7)8/h4,6-8H,1-2H2/q+1.
What are the key properties of trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium?
trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium has a molecular weight of 171.06 g/mol, XLogP of -1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium is sourced from PubChem (CID 88558856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).