CID 87130951

C20H11AsO5 — CID 87130951

IUPAC—
SMILESO=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc([As])c21
InChIInChI=1S/C20H11AsO5/c21-15-3-1-2-14-18(15)19(24)26-20(14)12-6-4-10(22)8-16(12)25-17-9-11(23)5-7-13(17)20/h1-9,22-23H
InChIKeyHDPXGBULSBGXAL-UHFFFAOYSA-N
MW406.23 g/mol
LogP2.46
Rot. Bonds

About CID 87130951

CID 87130951 (PubChem CID 87130951) has the molecular formula C20H11AsO5 and a molecular weight of 406.23 g/mol.

Molecular Properties

Compound NameCID 87130951
PubChem CID87130951
Molecular FormulaC20H11AsO5
Molecular Weight406.23 g/mol
Exact Mass405.98
IUPAC Name—
SMILESO=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc([As])c21
InChIInChI=1S/C20H11AsO5/c21-15-3-1-2-14-18(15)19(24)26-20(14)12-6-4-10(22)8-16(12)25-17-9-11(23)5-7-13(17)20/h1-9,22-23H
InChIKeyHDPXGBULSBGXAL-UHFFFAOYSA-N
XLogP2.46
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 CID 87130951?
The IUPAC name of CID 87130951 (CID 87130951) is not available.
What is the SMILES notation for CID 87130951?
The canonical SMILES for CID 87130951 is O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc([As])c21.
What is the InChIKey of CID 87130951?
The InChIKey is HDPXGBULSBGXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11AsO5/c21-15-3-1-2-14-18(15)19(24)26-20(14)12-6-4-10(22)8-16(12)25-17-9-11(23)5-7-13(17)20/h1-9,22-23H.
What are the key properties of CID 87130951?
CID 87130951 has a molecular weight of 406.23 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87130951 is sourced from PubChem (CID 87130951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).