dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate

H15Ca2O9PSiSrZn — CID 175213822

IUPACdicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate
SMILESO.O=P(O)(O)O.O[Si](O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Sr+2].[Zn]
InChIInChI=1S/2Ca.H3O4P.H4O4Si.H2O.Sr.Zn.6H/c;;2*1-5(2,3)4;;;;;;;;;/h;;(H3,1,2,3,4);1-4H;1H2;;;;;;;;/q2*+2;;;;+2;;6*-1
InChIKeyJXAXXXRPFPVBCW-UHFFFAOYSA-N
MW451.34 g/mol
LogP-4.83
Rot. Bonds

About dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate

dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate (PubChem CID 175213822) has the molecular formula H15Ca2O9PSiSrZn and a molecular weight of 451.34 g/mol. Its IUPAC name is dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate.

Molecular Properties

Compound Namedicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate
PubChem CID175213822
Molecular FormulaH15Ca2O9PSiSrZn
Molecular Weight451.34 g/mol
Exact Mass449.78
IUPAC Namedicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate
SMILESO.O=P(O)(O)O.O[Si](O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Sr+2].[Zn]
InChIInChI=1S/2Ca.H3O4P.H4O4Si.H2O.Sr.Zn.6H/c;;2*1-5(2,3)4;;;;;;;;;/h;;(H3,1,2,3,4);1-4H;1H2;;;;;;;;/q2*+2;;;;+2;;6*-1
InChIKeyJXAXXXRPFPVBCW-UHFFFAOYSA-N
XLogP-4.83
TPSA190.18 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.34
LogP ≤ 5-4.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate?
The IUPAC name of dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate (CID 175213822) is dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate.
What is the SMILES notation for dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate?
The canonical SMILES for dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate is O.O=P(O)(O)O.O[Si](O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[Sr+2].[Zn].
What is the InChIKey of dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate?
The InChIKey is JXAXXXRPFPVBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.H3O4P.H4O4Si.H2O.Sr.Zn.6H/c;;2*1-5(2,3)4;;;;;;;;;/h;;(H3,1,2,3,4);1-4H;1H2;;;;;;;;/q2*+2;;;;+2;;6*-1.
What are the key properties of dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate?
dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate has a molecular weight of 451.34 g/mol, XLogP of -4.83, 0 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;strontium;hydride;phosphoric acid;silicic acid;zinc;hydrate is sourced from PubChem (CID 175213822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).