aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate

H6AlCaO12PSi3SrZn — CID 174522681

IUPACaluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate
SMILESP.[Al+3].[Ca+2].[O-][Si](O)(O)O.[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Sr+2].[Zn+2]
InChIInChI=1S/Al.Ca.H3O4Si.2O4Si.H3P.Sr.Zn/c;;3*1-5(2,3)4;;;/h;;1-3H;;;1H3;;/q+3;+2;-1;2*-4;;2*+2
InChIKeyJWEOTVVKGVRSDR-UHFFFAOYSA-N
MW533.34 g/mol
LogP-14.60
Rot. Bonds

About aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate

aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate (PubChem CID 174522681) has the molecular formula H6AlCaO12PSi3SrZn and a molecular weight of 533.34 g/mol. Its IUPAC name is aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate.

Molecular Properties

Compound Namealuminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate
PubChem CID174522681
Molecular FormulaH6AlCaO12PSi3SrZn
Molecular Weight533.34 g/mol
Exact Mass531.67
IUPAC Namealuminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate
SMILESP.[Al+3].[Ca+2].[O-][Si](O)(O)O.[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Sr+2].[Zn+2]
InChIInChI=1S/Al.Ca.H3O4Si.2O4Si.H3P.Sr.Zn/c;;3*1-5(2,3)4;;;/h;;1-3H;;;1H3;;/q+3;+2;-1;2*-4;;2*+2
InChIKeyJWEOTVVKGVRSDR-UHFFFAOYSA-N
XLogP-14.60
TPSA268.23 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.34
LogP ≤ 5-14.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

dicalcium;strontium;zinc;disilicate;hydrate
CID 157386650
calcium;trihydroxy(oxido)silane;fluoride
CID 173400904
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CID 173280710
dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane
CID 157442673
dihydroxy(dioxido)silane;bis(lutetium(3+));silicate
CID 159125226
lithium;silicic acid;trihydroxy(oxido)silane
CID 173146526
dihydroxy(dioxido)silane;bis(ytterbium(3+));silicate
CID 175713338
copper;strontium;silicate
CID 174842958
calcium;magnesium;silicate
CID 21388751
dialuminum;barium(2+);disilicate
CID 72720457
dialuminum;magnesium;disilicate
CID 10038374
CID 174479625
CID 174479625

Frequently Asked Questions

What is the IUPAC name of aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate?
The IUPAC name of aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate (CID 174522681) is aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate.
What is the SMILES notation for aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate?
The canonical SMILES for aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate is P.[Al+3].[Ca+2].[O-][Si](O)(O)O.[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Sr+2].[Zn+2].
What is the InChIKey of aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate?
The InChIKey is JWEOTVVKGVRSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.H3O4Si.2O4Si.H3P.Sr.Zn/c;;3*1-5(2,3)4;;;/h;;1-3H;;;1H3;;/q+3;+2;-1;2*-4;;2*+2.
What are the key properties of aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate?
aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate has a molecular weight of 533.34 g/mol, XLogP of -14.60, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate is sourced from PubChem (CID 174522681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).