CID 42627489

H16AsO17 — CID 42627489

IUPAC—
SMILESO.O.O.O.O.O=[As](O)OOO.OO.OOOOO
InChIInChI=1S/AsH2O5.H2O5.H2O2.5H2O/c2-1(3)5-6-4;1-3-5-4-2;1-2;;;;;/h4H,(H,2,3);1-2H;1-2H;5*1H2
InChIKeyIOUCVEQGBDHKHC-UHFFFAOYSA-N
MW363.03 g/mol
LogP-5.48
Rot. Bonds4

About CID 42627489

CID 42627489 (PubChem CID 42627489) has the molecular formula H16AsO17 and a molecular weight of 363.03 g/mol.

Molecular Properties

Compound NameCID 42627489
PubChem CID42627489
Molecular FormulaH16AsO17
Molecular Weight363.03 g/mol
Exact Mass362.96
IUPAC Name—
SMILESO.O.O.O.O.O=[As](O)OOO.OO.OOOOO
InChIInChI=1S/AsH2O5.H2O5.H2O2.5H2O/c2-1(3)5-6-4;1-3-5-4-2;1-2;;;;;/h4H,(H,2,3);1-2H;1-2H;5*1H2
InChIKeyIOUCVEQGBDHKHC-UHFFFAOYSA-N
XLogP-5.48
TPSA342.10 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500363.03
LogP ≤ 5-5.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 42627489?
The IUPAC name of CID 42627489 (CID 42627489) is not available.
What is the SMILES notation for CID 42627489?
The canonical SMILES for CID 42627489 is O.O.O.O.O.O=[As](O)OOO.OO.OOOOO.
What is the InChIKey of CID 42627489?
The InChIKey is IOUCVEQGBDHKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/AsH2O5.H2O5.H2O2.5H2O/c2-1(3)5-6-4;1-3-5-4-2;1-2;;;;;/h4H,(H,2,3);1-2H;1-2H;5*1H2.
What are the key properties of CID 42627489?
CID 42627489 has a molecular weight of 363.03 g/mol, XLogP of -5.48, 4 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 42627489 is sourced from PubChem (CID 42627489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).