CID 175243698

H3O6PPdS — CID 175243698

IUPAC—
SMILESO=P(O)(O)S(=O)(=O)O.[Pd]
InChIInChI=1S/H3O6PS.Pd/c1-7(2,3)8(4,5)6;/h(H2,1,2,3)(H,4,5,6);
InChIKeyLSGYLTHCNJBFRK-UHFFFAOYSA-N
MW268.48 g/mol
LogP-1.04
Rot. Bonds1

About CID 175243698

CID 175243698 (PubChem CID 175243698) has the molecular formula H3O6PPdS and a molecular weight of 268.48 g/mol.

Molecular Properties

Compound NameCID 175243698
PubChem CID175243698
Molecular FormulaH3O6PPdS
Molecular Weight268.48 g/mol
Exact Mass267.84
IUPAC Name—
SMILESO=P(O)(O)S(=O)(=O)O.[Pd]
InChIInChI=1S/H3O6PS.Pd/c1-7(2,3)8(4,5)6;/h(H2,1,2,3)(H,4,5,6);
InChIKeyLSGYLTHCNJBFRK-UHFFFAOYSA-N
XLogP-1.04
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.48
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175243698?
The IUPAC name of CID 175243698 (CID 175243698) is not available.
What is the SMILES notation for CID 175243698?
The canonical SMILES for CID 175243698 is O=P(O)(O)S(=O)(=O)O.[Pd].
What is the InChIKey of CID 175243698?
The InChIKey is LSGYLTHCNJBFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O6PS.Pd/c1-7(2,3)8(4,5)6;/h(H2,1,2,3)(H,4,5,6);.
What are the key properties of CID 175243698?
CID 175243698 has a molecular weight of 268.48 g/mol, XLogP of -1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175243698 is sourced from PubChem (CID 175243698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).