Mrv0541 02241221152D          

 15  9  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    1.1196    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.1214    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2411   -2.3645    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4161   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8946   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4821   -2.3645    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    6.8946   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6571   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  CHG  8   1   3   2   2   3   1   4  -1   6  -1   8  -1  10  -1  12  -1
M  CHG  1  14  -1
M  END
> <DATABASE_ID>
CHEM009580

> <DATABASE_NAME>
chemdb

> <SMILES>
[Na+].[Mg++].[Al+3].[O-][Si]([O-])=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/Al.Mg.Na.3O3Si/c;;;3*1-4(2)3/q+3;+2;+1;3*-2

> <INCHI_KEY>
RILYHWBPLWVCBV-UHFFFAOYSA-N

> <FORMULA>
AlMgNaO9Si3

> <MOLECULAR_WEIGHT>
302.527

> <EXACT_MASS>
301.841361211

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
4.217826221245687

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
aluminium(3+) ion magnesium(2+) ion sodium tris(oxosilanebis(olate))

> <JCHEM_LOGP>
-1.3787999999999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
16.468652363253494

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.838695825533522

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
4.3287

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
aluminium(3+) ion magnesium(2+) ion sodium tris(oxosilanebis(olate))

> <JCHEM_VEBER_RULE>
0

> <NAME>
Silicic acid, aluminum magnesium sodium salt

> <CAS>
12040-43-6

> <SYNONYMS>
Sodium magnesium aluminosilicate

$$$$