phosphonato phosphate;bis(tin(2+));tin(4+)

O14P4Sn3 — CID 173146834

IUPACphosphonato phosphate;bis(tin(2+));tin(4+)
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Sn+2].[Sn+2].[Sn+4]
InChIInChI=1S/2H4O7P2.3Sn/c2*1-8(2,3)7-9(4,5)6;;;/h2*(H2,1,2,3)(H2,4,5,6);;;/q;;2*+2;+4/p-8
InChIKeyBTXGBDVPSGDSOK-UHFFFAOYSA-F
MW704.02 g/mol
LogP-7.82
Rot. Bonds4

About phosphonato phosphate;bis(tin(2+));tin(4+)

phosphonato phosphate;bis(tin(2+));tin(4+) (PubChem CID 173146834) has the molecular formula O14P4Sn3 and a molecular weight of 704.02 g/mol. Its IUPAC name is phosphonato phosphate;bis(tin(2+));tin(4+).

Molecular Properties

Compound Namephosphonato phosphate;bis(tin(2+));tin(4+)
PubChem CID173146834
Molecular FormulaO14P4Sn3
Molecular Weight704.02 g/mol
Exact Mass707.53
IUPAC Namephosphonato phosphate;bis(tin(2+));tin(4+)
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Sn+2].[Sn+2].[Sn+4]
InChIInChI=1S/2H4O7P2.3Sn/c2*1-8(2,3)7-9(4,5)6;;;/h2*(H2,1,2,3)(H2,4,5,6);;;/q;;2*+2;+4/p-8
InChIKeyBTXGBDVPSGDSOK-UHFFFAOYSA-F
XLogP-7.82
TPSA271.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.02
LogP ≤ 5-7.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

phosphonato phosphate;bis(tin(2+));hydrate
CID 91886673
phosphonato phosphate
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phosphonato phosphate;bis(titanium(4+))
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phosphonato phosphate;decahydrate
CID 22385493
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687
mercury;phosphonato phosphate
CID 157352193
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
sodium;chromium(3+);phosphonato phosphate
CID 159071425
phosphonato phosphate;tetrakis(thallium(1+))
CID 22764813

Frequently Asked Questions

What is the IUPAC name of phosphonato phosphate;bis(tin(2+));tin(4+)?
The IUPAC name of phosphonato phosphate;bis(tin(2+));tin(4+) (CID 173146834) is phosphonato phosphate;bis(tin(2+));tin(4+).
What is the SMILES notation for phosphonato phosphate;bis(tin(2+));tin(4+)?
The canonical SMILES for phosphonato phosphate;bis(tin(2+));tin(4+) is O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Sn+2].[Sn+2].[Sn+4].
What is the InChIKey of phosphonato phosphate;bis(tin(2+));tin(4+)?
The InChIKey is BTXGBDVPSGDSOK-UHFFFAOYSA-F. The full InChI is InChI=1S/2H4O7P2.3Sn/c2*1-8(2,3)7-9(4,5)6;;;/h2*(H2,1,2,3)(H2,4,5,6);;;/q;;2*+2;+4/p-8.
What are the key properties of phosphonato phosphate;bis(tin(2+));tin(4+)?
phosphonato phosphate;bis(tin(2+));tin(4+) has a molecular weight of 704.02 g/mol, XLogP of -7.82, 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(2+));tin(4+) is sourced from PubChem (CID 173146834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).