[hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate

C5H7N2O5P — CID 57323950

IUPAC[hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate
SMILESCC(=O)OP(=O)(O)Oc1ncc[nH]1
InChIInChI=1S/C5H7N2O5P/c1-4(8)11-13(9,10)12-5-6-2-3-7-5/h2-3H,1H3,(H,6,7)(H,9,10)
InChIKeyBMEVYNBDIZRCID-UHFFFAOYSA-N
MW206.09 g/mol
LogP0.45
Rot. Bonds3

About [hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate

[hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate (PubChem CID 57323950) has the molecular formula C5H7N2O5P and a molecular weight of 206.09 g/mol. Its IUPAC name is [hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate.

Molecular Properties

Compound Name[hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate
PubChem CID57323950
Molecular FormulaC5H7N2O5P
Molecular Weight206.09 g/mol
Exact Mass206.01
IUPAC Name[hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate
SMILESCC(=O)OP(=O)(O)Oc1ncc[nH]1
InChIInChI=1S/C5H7N2O5P/c1-4(8)11-13(9,10)12-5-6-2-3-7-5/h2-3H,1H3,(H,6,7)(H,9,10)
InChIKeyBMEVYNBDIZRCID-UHFFFAOYSA-N
XLogP0.45
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate 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 [hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate?
The IUPAC name of [hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate (CID 57323950) is [hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate.
What is the SMILES notation for [hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate?
The canonical SMILES for [hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate is CC(=O)OP(=O)(O)Oc1ncc[nH]1.
What is the InChIKey of [hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate?
The InChIKey is BMEVYNBDIZRCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2O5P/c1-4(8)11-13(9,10)12-5-6-2-3-7-5/h2-3H,1H3,(H,6,7)(H,9,10).
What are the key properties of [hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate?
[hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate has a molecular weight of 206.09 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate is sourced from PubChem (CID 57323950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).