CID 19009381

H2O13P4Th — CID 19009381

IUPAC—
SMILESO.O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].[Th+4]
InChIInChI=1S/4HO3P.H2O.Th/c4*1-4(2)3;;/h4*(H,1,2,3);1H2;/q;;;;;+4/p-4
InChIKeyIKBZGTJODANIRG-UHFFFAOYSA-J
MW565.94 g/mol
LogP-3.09
Rot. Bonds

About CID 19009381

CID 19009381 (PubChem CID 19009381) has the molecular formula H2O13P4Th and a molecular weight of 565.94 g/mol.

Molecular Properties

Compound NameCID 19009381
PubChem CID19009381
Molecular FormulaH2O13P4Th
Molecular Weight565.94 g/mol
Exact Mass565.88
IUPAC Name—
SMILESO.O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].[Th+4]
InChIInChI=1S/4HO3P.H2O.Th/c4*1-4(2)3;;/h4*(H,1,2,3);1H2;/q;;;;;+4/p-4
InChIKeyIKBZGTJODANIRG-UHFFFAOYSA-J
XLogP-3.09
TPSA260.30 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.94
LogP ≤ 5-3.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19009381?
The IUPAC name of CID 19009381 (CID 19009381) is not available.
What is the SMILES notation for CID 19009381?
The canonical SMILES for CID 19009381 is O.O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].[Th+4].
What is the InChIKey of CID 19009381?
The InChIKey is IKBZGTJODANIRG-UHFFFAOYSA-J. The full InChI is InChI=1S/4HO3P.H2O.Th/c4*1-4(2)3;;/h4*(H,1,2,3);1H2;/q;;;;;+4/p-4.
What are the key properties of CID 19009381?
CID 19009381 has a molecular weight of 565.94 g/mol, XLogP of -3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19009381 is sourced from PubChem (CID 19009381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).