phosphonato phosphate;bis(tin(4+))

O14P4Sn2 — CID 21114714

IUPACphosphonato phosphate;bis(tin(4+))
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Sn+4].[Sn+4]
InChIInChI=1S/2H4O7P2.2Sn/c2*1-8(2,3)7-9(4,5)6;;/h2*(H2,1,2,3)(H2,4,5,6);;/q;;2*+4/p-8
InChIKeyHKSAPQKODWTHPX-UHFFFAOYSA-F
MW585.30 g/mol
LogP-7.44
Rot. Bonds4

About phosphonato phosphate;bis(tin(4+))

phosphonato phosphate;bis(tin(4+)) (PubChem CID 21114714) has the molecular formula O14P4Sn2 and a molecular weight of 585.30 g/mol. Its IUPAC name is phosphonato phosphate;bis(tin(4+)).

Molecular Properties

Compound Namephosphonato phosphate;bis(tin(4+))
PubChem CID21114714
Molecular FormulaO14P4Sn2
Molecular Weight585.30 g/mol
Exact Mass587.63
IUPAC Namephosphonato phosphate;bis(tin(4+))
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Sn+4].[Sn+4]
InChIInChI=1S/2H4O7P2.2Sn/c2*1-8(2,3)7-9(4,5)6;;/h2*(H2,1,2,3)(H2,4,5,6);;/q;;2*+4/p-8
InChIKeyHKSAPQKODWTHPX-UHFFFAOYSA-F
XLogP-7.44
TPSA271.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.30
LogP ≤ 5-7.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphonato phosphate;bis(tin(4+))?
The IUPAC name of phosphonato phosphate;bis(tin(4+)) (CID 21114714) is phosphonato phosphate;bis(tin(4+)).
What is the SMILES notation for phosphonato phosphate;bis(tin(4+))?
The canonical SMILES for phosphonato phosphate;bis(tin(4+)) is O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Sn+4].[Sn+4].
What is the InChIKey of phosphonato phosphate;bis(tin(4+))?
The InChIKey is HKSAPQKODWTHPX-UHFFFAOYSA-F. The full InChI is InChI=1S/2H4O7P2.2Sn/c2*1-8(2,3)7-9(4,5)6;;/h2*(H2,1,2,3)(H2,4,5,6);;/q;;2*+4/p-8.
What are the key properties of phosphonato phosphate;bis(tin(4+))?
phosphonato phosphate;bis(tin(4+)) has a molecular weight of 585.30 g/mol, XLogP of -7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for phosphonato phosphate;bis(tin(4+)) is sourced from PubChem (CID 21114714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).