CID 173388644

H72MgO100P25Sn8- — CID 173388644

IUPAC—
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P([O-])([O-])[O-].[Mg+2].[Sn].[Sn].[Sn].[Sn].[Sn].[Sn].[Sn].[Sn]
InChIInChI=1S/Mg.25H3O4P.8Sn/c;25*1-5(2,3)4;;;;;;;;/h;25*(H3,1,2,3,4);;;;;;;;/q+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3
InChIKeyWULKUBNRERCQHZ-UHFFFAOYSA-K
MW3420.82 g/mol
LogP-28.54
Rot. Bonds

About CID 173388644

CID 173388644 (PubChem CID 173388644) has the molecular formula H72MgO100P25Sn8- and a molecular weight of 3420.82 g/mol.

Molecular Properties

Compound NameCID 173388644
PubChem CID173388644
Molecular FormulaH72MgO100P25Sn8-
Molecular Weight3420.82 g/mol
Exact Mass3429.60
IUPAC Name—
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P([O-])([O-])[O-].[Mg+2].[Sn].[Sn].[Sn].[Sn].[Sn].[Sn].[Sn].[Sn]
InChIInChI=1S/Mg.25H3O4P.8Sn/c;25*1-5(2,3)4;;;;;;;;/h;25*(H3,1,2,3,4);;;;;;;;/q+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3
InChIKeyWULKUBNRERCQHZ-UHFFFAOYSA-K
XLogP-28.54
TPSA1952.49 Ų
H-Bond Donors72
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003420.82
LogP ≤ 5-28.54
H-Bond Donors ≤ 572
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

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Related Compounds

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calcium;sodium;phosphoric acid;phosphate
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magnesium;hydrogen phosphate;phosphoric acid;silane
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Frequently Asked Questions

What is the IUPAC name of CID 173388644?
The IUPAC name of CID 173388644 (CID 173388644) is not available.
What is the SMILES notation for CID 173388644?
The canonical SMILES for CID 173388644 is O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P([O-])([O-])[O-].[Mg+2].[Sn].[Sn].[Sn].[Sn].[Sn].[Sn].[Sn].[Sn].
What is the InChIKey of CID 173388644?
The InChIKey is WULKUBNRERCQHZ-UHFFFAOYSA-K. The full InChI is InChI=1S/Mg.25H3O4P.8Sn/c;25*1-5(2,3)4;;;;;;;;/h;25*(H3,1,2,3,4);;;;;;;;/q+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3.
What are the key properties of CID 173388644?
CID 173388644 has a molecular weight of 3420.82 g/mol, XLogP of -28.54, 0 rotatable bonds, 72 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173388644 is sourced from PubChem (CID 173388644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).