CID 173050648

H6O8P2Se3 — CID 173050648

IUPAC
SMILESO=P(O)(O)O.O=P(O)(O)O.[Se].[Se].[Se]
InChIInChI=1S/2H3O4P.3Se/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;
InChIKeyHXRUKKUJAKRGTG-UHFFFAOYSA-N
MW432.87 g/mol
LogP-3.00
Rot. Bonds

About CID 173050648

CID 173050648 (PubChem CID 173050648) has the molecular formula H6O8P2Se3 and a molecular weight of 432.87 g/mol.

Molecular Properties

Compound NameCID 173050648
PubChem CID173050648
Molecular FormulaH6O8P2Se3
Molecular Weight432.87 g/mol
Exact Mass435.70
IUPAC Name
SMILESO=P(O)(O)O.O=P(O)(O)O.[Se].[Se].[Se]
InChIInChI=1S/2H3O4P.3Se/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;
InChIKeyHXRUKKUJAKRGTG-UHFFFAOYSA-N
XLogP-3.00
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.87
LogP ≤ 5-3.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 173050648 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 CID 173050648?
The IUPAC name of CID 173050648 (CID 173050648) is not available.
What is the SMILES notation for CID 173050648?
The canonical SMILES for CID 173050648 is O=P(O)(O)O.O=P(O)(O)O.[Se].[Se].[Se].
What is the InChIKey of CID 173050648?
The InChIKey is HXRUKKUJAKRGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3O4P.3Se/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;.
What are the key properties of CID 173050648?
CID 173050648 has a molecular weight of 432.87 g/mol, XLogP of -3.00, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173050648 is sourced from PubChem (CID 173050648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).