Oxybisphenoxarsine

C24H14As2O3 — CID 13100956

IUPAC—
SMILESc1ccc2c(c1)Oc1cccc(Oc3cccc4c3[As]c3ccccc3O4)c1[As]2
InChIInChI=1S/C24H14As2O3/c1-3-9-17-15(7-1)25-23-19(27-17)11-5-13-21(23)29-22-14-6-12-20-24(22)26-16-8-2-4-10-18(16)28-20/h1-14H
InChIKeyQTPWGYKZDGLIJM-UHFFFAOYSA-N
MW500.22 g/mol
LogP3.00
Rot. Bonds2

About Oxybisphenoxarsine

Oxybisphenoxarsine (PubChem CID 13100956) has the molecular formula C24H14As2O3 and a molecular weight of 500.22 g/mol.

Molecular Properties

Compound NameOxybisphenoxarsine
PubChem CID13100956
Molecular FormulaC24H14As2O3
Molecular Weight500.22 g/mol
Exact Mass499.94
IUPAC Name—
SMILESc1ccc2c(c1)Oc1cccc(Oc3cccc4c3[As]c3ccccc3O4)c1[As]2
InChIInChI=1S/C24H14As2O3/c1-3-9-17-15(7-1)25-23-19(27-17)11-5-13-21(23)29-22-14-6-12-20-24(22)26-16-8-2-4-10-18(16)28-20/h1-14H
InChIKeyQTPWGYKZDGLIJM-UHFFFAOYSA-N
XLogP3.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Oxybisphenoxarsine?
The IUPAC name of Oxybisphenoxarsine (CID 13100956) is not available.
What is the SMILES notation for Oxybisphenoxarsine?
The canonical SMILES for Oxybisphenoxarsine is c1ccc2c(c1)Oc1cccc(Oc3cccc4c3[As]c3ccccc3O4)c1[As]2.
What is the InChIKey of Oxybisphenoxarsine?
The InChIKey is QTPWGYKZDGLIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14As2O3/c1-3-9-17-15(7-1)25-23-19(27-17)11-5-13-21(23)29-22-14-6-12-20-24(22)26-16-8-2-4-10-18(16)28-20/h1-14H.
What are the key properties of Oxybisphenoxarsine?
Oxybisphenoxarsine has a molecular weight of 500.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Oxybisphenoxarsine is sourced from PubChem (CID 13100956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).