2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid

C6H15O11P3 — CID 87161778

IUPAC2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid
SMILESCOP(=O)(O)CC(C(=O)O)(P(=O)(O)OC)P(=O)(O)OC
InChIInChI=1S/C6H15O11P3/c1-15-18(9,10)4-6(5(7)8,19(11,12)16-2)20(13,14)17-3/h4H2,1-3H3,(H,7,8)(H,9,10)(H,11,12)(H,13,14)
InChIKeyMZQWIJJUNJOYQA-UHFFFAOYSA-N
MW356.10 g/mol
LogP0.26
Rot. Bonds8

About 2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid

2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid (PubChem CID 87161778) has the molecular formula C6H15O11P3 and a molecular weight of 356.10 g/mol. Its IUPAC name is 2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid.

Molecular Properties

Compound Name2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid
PubChem CID87161778
Molecular FormulaC6H15O11P3
Molecular Weight356.10 g/mol
Exact Mass355.98
IUPAC Name2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid
SMILESCOP(=O)(O)CC(C(=O)O)(P(=O)(O)OC)P(=O)(O)OC
InChIInChI=1S/C6H15O11P3/c1-15-18(9,10)4-6(5(7)8,19(11,12)16-2)20(13,14)17-3/h4H2,1-3H3,(H,7,8)(H,9,10)(H,11,12)(H,13,14)
InChIKeyMZQWIJJUNJOYQA-UHFFFAOYSA-N
XLogP0.26
TPSA176.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.10
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic 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 2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid?
The IUPAC name of 2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid (CID 87161778) is 2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid.
What is the SMILES notation for 2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid?
The canonical SMILES for 2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid is COP(=O)(O)CC(C(=O)O)(P(=O)(O)OC)P(=O)(O)OC.
What is the InChIKey of 2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid?
The InChIKey is MZQWIJJUNJOYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O11P3/c1-15-18(9,10)4-6(5(7)8,19(11,12)16-2)20(13,14)17-3/h4H2,1-3H3,(H,7,8)(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid?
2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid has a molecular weight of 356.10 g/mol, XLogP of 0.26, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-tris[hydroxy(methoxy)phosphoryl]propanoic acid is sourced from PubChem (CID 87161778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).